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Pyrimethanil

fo-9fcadf448d73b6ac

Identity

Type
Neutral molecule
CAS
53112-28-0
EC
414-220-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pyrimethanil

What it is used for

4

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZLIBICFPKPWGIZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
IUPAC name chemrof:IUPAC_name 2-Anilino-4,6-dimethylpyrimidine
Molecular formula chemrof:molecular_formula C12H13N3
Molecular mass chemrof:molecular_mass 199.257
Monoisotopic mass chemrof:monoisotopic_mass 199.110947, 199.11095
SMILES string chemrof:smiles_string Cc1cc(C)nc(Nc2ccccc2)n1

Known URLs

33

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=53112-28-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:8674 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.334 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.107.894 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8034877 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL540677 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6IA5HP6C8Z enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0033135 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J682.443I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11180 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11180 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45905 enrich_references.pubchem_identifier_url
pesticides pesticides:pyrimethanil enrich_references.chebi_xrefs
ppdb ppdb:573 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91650 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=562317 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22949075 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23246620 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23258318 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23410121 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23436777 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23673061 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23993516 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24081744 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24365971 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24380616 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24652239 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24835131 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25145229 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25216469 enrich_references.chebi_xrefs
reaxys reaxys:151589 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q7263600 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pyrimethanil enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
056a5bae-bee1-46b6-9d0d-c07e404e4eb5 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
250289c5-e872-45ce-9a7f-ebb12adc7bb7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9b361467-086a-465f-9309-e974ded24cef Environmental → Air → Indoor EF 3.1 kg 4
447e6f8c-5c25-47e9-bbfb-93e28fe12826 Environmental → Air → Long-term EF 3.1 kg 0
ff102a8c-71d4-46dc-8655-bed9a4ef0849 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ecd333ff-4d75-40cd-9f87-1e1176fde737 Environmental → Air → Unknown EF 3.1 kg 4
0e71b6fd-5e88-45a6-87db-713247b112bb Environmental → Ground → Agricultural EF 3.1 kg 4
fd66028c-5839-48d9-9b24-74115748362a Environmental → Ground → Non-agricultural EF 3.1 kg 4
2a8b963adfe9f1e908922ee5f24285b4a6875524 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
e855825a-d624-4bab-998b-ea5c03c80bf2 Environmental → Ground → Unknown EF 3.1 kg 4
6f4fb29a-dcf7-44ee-9048-5209ea89fb2a Environmental → Water → Long-term EF 3.1 kg 0
399b0a48-c3b9-464d-b730-e39d0130bcdd Environmental → Water → Ocean EF 3.1 kg 4
df8fc81889ab1ae1670e4bb7e117114f313337fc Environmental → Water → River agribalyse algorithm addition kg 0
0050d91e-f5ec-44ab-9121-213cfe0012b0 Environmental → Water → Surface water EF 3.1 kg 4
5d40887c-6c52-45f9-b32c-6ec47b1af7c1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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