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2-isopropyl-6-methyl-1H-pyrimidin-4-one

fo-2bf7d90914de8d2c

Identity

Type
Neutral molecule
CAS
2814-20-2
EC
220-561-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
63 across every transformer

Structure

Structure diagram for 2-isopropyl-6-methyl-1H-pyrimidin-4-one

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AJPIUNPJBFBUKK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
IUPAC name chemrof:IUPAC_name 2-isopropyl-6-methyl-1H-pyrimidin-4-one, 2-isopropyl-6-methyl-1h-pyrimidin-4-one
Molecular formula chemrof:molecular_formula C8H12N2O
Molecular mass chemrof:molecular_mass 152.197
Monoisotopic mass chemrof:monoisotopic_mass 152.094963
SMILES string chemrof:smiles_string Cc1cc(=O)nc(C(C)C)[nH]1

Known URLs

11

Where 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=2814-20-2 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83445 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.692 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1027502 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183282 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0JET159MZQ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245733 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.007I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55945 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135444498 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27889436 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5d709456-40c9-423b-878e-ba3cf13f727d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9891ca76-dd43-480e-82e8-752a273cc6e0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a4960fe0-7a8c-4a58-ad72-b8e1f8c44fcf Environmental → Air → Indoor EF 3.1 kg 2
a374aa83-e2a6-4a08-9f84-54235dc28327 Environmental → Air → Long-term EF 3.1 kg 0
00784c48-f0ed-4972-8612-1657d34df077 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cf64b5c9-5291-432e-b7fb-d7bdec0bac88 Environmental → Air → Unknown EF 3.1 kg 2
d0cdfc75-f7ca-42c5-8c22-6d1ac4737597 Environmental → Ground → Agricultural EF 3.1 kg 2
728706ed-9286-4bd2-8096-1e342bb0f6eb Environmental → Ground → Non-agricultural EF 3.1 kg 2
2d716371-8482-4fe3-9088-bc3a8d6f0f50 Environmental → Ground → Unknown EF 3.1 kg 2
c62fb384-21eb-49f7-a577-dc34cb994f9a Environmental → Water → Long-term EF 3.1 kg 0
a9791d06-2f5a-4ede-818c-56e5073b9d0a Environmental → Water → Ocean EF 3.1 kg 2
310e5d47-0705-427e-b74f-80c66fc628af Environmental → Water → Surface water EF 3.1 kg 2
9d136d80-aa6e-43ea-8318-12b7abb4e81e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (63 changes)

Open the changes page

Full record

Flow object JSON 
{
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}

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