Pyrimethamine
fo-2dc33340e0314b3e
Identity
- Type
- Neutral molecule
- CAS
- 58-14-0
- EC
- 200-364-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
39- 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine
- 2,4-Diamino-5-(p-chlorophenyl)-6-ethylpyrimidine
- 2,4-Diamino-5-chlorophenyl-6-ethylpyrimidine
- 2,4-Diamino-5-p-chlorophenyl-6-ethylpyrimidine
- 2,4-Pyrimidinediamine, 5-(4-chlorophenyl)-6-ethyl-
- 4753 R.P.
- 5-(4'-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine
- 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE
- 5-(4-Chlorophenyl)-2,4-diamino-6-ethylpyrimidine
- 5-(4-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine
- 5-(4-Chlorophenyl)-6-ethyl-2,4-pyrimidinediamine
- 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
- 5-(P-Chlorophenyl)-6-ethyl-2,4-diaminopyrimidine
- Broad ID:BRD-K 88429204
- BW 50-63
- chloridin
- Chloridine
- Chloridyn
- Darachlor
- Darapram
- Daraprim
- Daraprime
- Diaminopyritamin
- Erbaprelina
- Ethylpyrimidine
- Khloridin
- Malacid
- Malocid
- Malocide
- MeSH ID: D011739
- pirimecidan
- pirimetamin
- pirimetamina
- Primethamine
- pyrimethamin
- pyrimethaminum
- Pyrimidine, 2,4-diamino-5-(p-chlorophenyl)-6-ethyl-
- Tindurin
- Tinduring
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
| IUPAC name chemrof:IUPAC_name | 2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidine |
| Molecular formula chemrof:molecular_formula | C12H13ClN4 |
| Molecular mass chemrof:molecular_mass | 248.717 |
| Monoisotopic mass chemrof:monoisotopic_mass | 248.08287, 248.082874 |
| SMILES string chemrof:smiles_string | CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 |
Known URLs
45Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=58-14-0 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:47343 | enrich_references.chebi_id_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8673 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.331 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9021217 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00205 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00205 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:2332 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/2332 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3061 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757306 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL36 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z3614QOX8W | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014350 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.589F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C07391 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00488 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C07391 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00488 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-3967 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42609 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C788 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:CP6 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA451193 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/G5NUG5N82974 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL36 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4993 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=006885 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=097730 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=097733 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=105153 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=105155 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11257045 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11313656 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12543697 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16157660 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19435820 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28166217 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3377143 | enrich_references.chebi_xrefs |
| reaxys | reaxys:219864 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/9010 | enrich_references.pubchem_identifier_url |
| vsdb | vsdb:1912 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q421072 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Pyrimethamine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| a2858cb2-c344-491e-bb47-28fb0fc8a6cb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| afeb8d05-9383-4406-9fda-b523ed950fdf | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| bfb49f5f-3a21-461a-9c67-186e6b4420e3 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 0d3711fb-9222-4793-aeb6-cf9e75d00de2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 32bc2a1c-f666-4370-bee5-2a0dcd979c5c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 1c40d1fb-3346-4756-b833-ca2dfc347a02 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 16147026-cc41-4e0e-9b4d-2ee9d3be3340 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 10d3f099-6fb3-4083-bad5-75c9cc3972fd | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6a43962c-dbbc-4006-9cd1-1af039f02b38 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 0fbd2c76-08f3-4421-acc8-a1c847e56479 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 77200efa-7fe8-4ed0-91a7-495ef1b44fbf | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 2da3dcfe-7030-456e-921a-b8f9e18e650c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 098d6f25-2874-4d25-aa87-5935b96b8da8 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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},
{
"@value": "chloridin",
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{
"@value": "Chloridine",
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},
{
"@value": "Chloridyn",
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},
{
"@value": "Darachlor",
"@language": "en",
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},
{
"@value": "Darapram",
"@language": "en",
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}
},
{
"@value": "Daraprim",
"@language": "en",
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],
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}
},
{
"@value": "Daraprime",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diaminopyritamin",
"@language": "en",
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"provenance": {
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},
{
"@value": "Erbaprelina",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylpyrimidine",
"@language": "en",
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},
{
"@value": "Khloridin",
"@language": "en",
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},
{
"@value": "Malacid",
"@language": "en",
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},
{
"@value": "Malocid",
"@language": "en",
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},
{
"@value": "Malocide",
"@language": "en",
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"provenance": {
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"prov:hadPrimarySource": [
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},
{
"@value": "MeSH ID: D011739",
"@language": "en",
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works