Pyrimethanil

Chemical Information
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.
| CAS Number | 53112-28-0 |
| PubChem CID | 91650 |
| IUPAC Name | 4,6-dimethyl-N-phenylpyrimidin-2-amine |
| Molecular Formula | C12H13N3 |
| Molecular Weight | 199.25 |
| XLogP | 2.9 |
| Topological Polar Surface Area | 37.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 179 |
| Property | Value |
|---|---|
| Molecular Weight | 199.25 |
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 199.110947427 |
| Monoisotopic Mass | 199.110947427 |
| Topological Polar Surface Area | 37.8 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 179 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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