pyrimethanil (CHEBI:8674)

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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

Average Mass

199.25170

Monoisotopic Mass

199.11095

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 )

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

Last Modified

29 July 2015