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CHEBI:8674 - pyrimethanil

ChEBI IDCHEBI:8674
ChEBI Namepyrimethanil
Stars
DefinitionA 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.
Last Modified29 July 2015
DownloadsMolfile
FormulaC12H13N3
Net Charge0
Average Mass199.257
Monoisotopic Mass199.11095
SMILESCc1cc(C)nc(Nc2ccccc2)n1
InChIInChI=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)
InChIKeyZLIBICFPKPWGIZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted acid).
Biological Roles:
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.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
2-Anilino-4,6-dimethylpyrimidineHMDB
4,6-Dimethyl-N-phenyl-2-pyrimidinamineHMDB
N-(4,6-dimethylpyrimidin-2-yl)anilineAlan Wood's Pesticides
Manual XrefsDatabases
C11180KEGG COMPOUND
HMDB0033135HMDB
PyrimethanilWikipedia
pyrimethanilAlan Wood's Pesticides
573PPDB
Registry NumbersSources
Reaxys:151589Reaxys
CAS:53112-28-0KEGG COMPOUND
CAS:53112-28-0ChemIDplus
CAS:53112-28-0NIST Chemistry WebBook
Citations