CHEBI:8674 - pyrimethanil

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ChEBI Name pyrimethanil
ChEBI ID CHEBI:8674
Definition A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying two additional methyl substituents at positions 4 and 6. A fungicide used to control grey mould on fruit, vegetables and ornamentals as well as leaf scab on pome fruit. Also commonly employed to control Botrytis cinerea throughout the winemaking process in grapes, must, fermenting must and wine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H13N3
Net Charge 0
Average Mass 199.25170
Monoisotopic Mass 199.111
InChI 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)
InChIKey ZLIBICFPKPWGIZ-UHFFFAOYSA-N
SMILES Cc1cc(C)nc(Nc2ccccc2)n1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): aryl hydrocarbon receptor agonist
An agonist that binds to and activates aryl hydrocarbon receptors (AhRs).
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via pyrimidine fungicide )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via pyrimidine antifungal agent )
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via pyrimidine fungicide )
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ChEBI Ontology
Outgoing pyrimethanil (CHEBI:8674) has role antifungal agrochemical (CHEBI:86328)
pyrimethanil (CHEBI:8674) has role aryl hydrocarbon receptor agonist (CHEBI:72768)
pyrimethanil (CHEBI:8674) has role environmental contaminant (CHEBI:78298)
pyrimethanil (CHEBI:8674) has role xenobiotic (CHEBI:35703)
pyrimethanil (CHEBI:8674) is a aminopyrimidine (CHEBI:38338)
pyrimethanil (CHEBI:8674) is a anilinopyrimidine fungicide (CHEBI:87208)
pyrimethanil (CHEBI:8674) is a secondary amino compound (CHEBI:50995)
IUPAC Name
4,6-dimethyl-N-phenylpyrimidin-2-amine
Synonyms Sources
2-Anilino-4,6-dimethylpyrimidine HMDB
4,6-Dimethyl-N-phenyl-2-pyrimidinamine HMDB
N-(4,6-dimethylpyrimidin-2-yl)aniline Alan Wood's Pesticides
Manual Xrefs Databases
573 PPDB
C11180 KEGG COMPOUND
HMDB0033135 HMDB
pyrimethanil Alan Wood's Pesticides
Pyrimethanil Wikipedia
View more database links
Registry Numbers Types Sources
151589 Reaxys Registry Number Reaxys
53112-28-0 CAS Registry Number KEGG COMPOUND
53112-28-0 CAS Registry Number NIST Chemistry WebBook
53112-28-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22949075 PubMed citation Europe PMC
23246620 PubMed citation Europe PMC
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25216469 PubMed citation Europe PMC
Last Modified
29 July 2015