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Pyrimethanil

CAT: 0013-GTR19216528-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216528-03Size:100 mg
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Description
Pyrimethanil is a strobilurin fungicide belonging to the anilinopyrimidine class. Pyrimethanil is a broad-spectrum contact fungicide for the control of Botrytis spp. on a wide variety of crops. Pyrimethanil inhibits the biosynthesis of methionine and other amino acids in Botrytis cinerea. (In Vitro) :Pyrimethanil (3 days) decreased polygalacturonase, cellulase, proteinase and laccase activities. Pyrimethanil resulted in 50% reduction (IC50) in total enzyme activities such as polygalacturonase, cellulase and proteinase (IC50 = approximately 2.5 μM), and laccase (IC50 = 1.0 μM) .
CAS Number
53112-28-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 130 mg/mL (652.45 mM)
Smiles
Cc1cc (C) nc (Nc2ccccc2) n1
Molecular Formula
C12H13N3
Molecular Weight
199.257
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Pyrimethanil

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 Number53112-28-0
PubChem CID91650
IUPAC Name4,6-dimethyl-N-phenylpyrimidin-2-amine
Molecular FormulaC12H13N3
Molecular Weight199.25
XLogP2.9
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity179
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
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
Chemical Structure
2D Structure
2D structure of Pyrimethanil
CAS: 53112-28-0
CID: 91650
Formula: C12H13N3
MW: 199.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass199.110947427
Monoisotopic Mass199.110947427
Topological Polar Surface Area37.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T37071-01Pyrimethanil
TRC-P997252-100MGPyrimethanil-d5
HY-B2033R-01Pyrimethanil (Standard)
OR1101620-014'-Hydroxy pyrimethanil
CS-I-00532Pyrimethanil-[13C,15N2]
0144464’-Hydroxy Pyrimethanil
HY-B2033S-01Pyrimethanil-13C,15N2
MBS6072742-014'-Hydroxy Pyrimethanil-d4

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