Pyrimethanil

CAT: 0931-T37071-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T37071-01Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

53112-28-0

Target

Antifungal

Related Pathways

Microbiology/Virology

Purity

0.9986

Bioactivity

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.

Smiles

CC1=CC(C)=NC(NC2=CC=CC=C2)=N1

Molecular Formula

C12H13N3

Molecular Weight

199.25

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 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

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

CAS: 53112-28-0

CID: 91650

Formula: C12H13N3

MW: 199.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

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 Å²
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

Alternative Products

Catalog	Name
AG269	Pyrimethanil
TRC-P997252-100MG	Pyrimethanil-d5
HY-B2033R-01	Pyrimethanil (Standard)
OR1101620-01	4'-Hydroxy pyrimethanil
GTR19150732	Pyrimethanil-OVA conj.
GTR19150921	Pyrimethanil-KLH conj.
CS-I-00532	Pyrimethanil-[13C,15N2]
H953205	4’-Hydroxy Pyrimethanil
GTR19150827	Pyrimethanil-BSA conj.

Pyrimethanil

Chemical Information

Alternative Products

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