Molecular Identity
Pyrimethanil
4,6-dimethyl-N-phenylpyrimidin-2-amine
PubChem CID: 91650
Pyrimethanil is 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. It has a role as a xenobiotic, an aryl hydrocarbon receptor agonist, an environmental contaminant and an antifungal agrochemical. It is an aminopyrimidine, a secondary amino compound and an anilinopyrimidine fungicide.
2D Structure
Properties
C12H13N3
Molecular Formula
199.25
Molecular Weight
g/mol
199.1109
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
37.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
179
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Pyrimethanil53112-28-04,6-dimethyl-N-phenyl-2-pyrimidinamine4,6-dimethyl-N-phenylpyrimidin-2-amineScala2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-DTXSID80348776IA5HP6C8ZN-(4,6-dimethylpyrimidin-2-yl)anilineSN 100309CHEBI:8674DTXCID6014877RefChem:177750610-963-4Pyrimethanil [ISO]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pyrimethanil
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