Pyrimethanil

C₁₂H₁₃N₃CAS 53112-28-0199.26 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₂H₁₃N₃
Molar mass: 199.26 g/mol
Exact mass: 199.1109 Da
Density: 1.15 g/mL (at 20 °C)
Melting point: 96.3 °C
Water solubility: 121 mg/L
logP: 2.84Crippen estimate
Polar surface area: 37.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

53112-28-0

SMILES

Cc1cc(C)nc(Nc2ccccc2)n1

InChIKey

ZLIBICFPKPWGIZ-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names

2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-
4,6-Dimethyl-N-phenyl-2-pyrimidinamine
2-Anilino-4,6-dimethylpyrimidine
Scala
Mythos
N-(4,6-Dimethylpyrimidin-2-yl)aniline
Penbotec
Siganex
Xedathane 20
Mythos 300SC

Work with Pyrimethanil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Phenyl-2-pyrimidinamine57356-49-747 % similar 3-Methyldiphenylamine1205-64-745 % similar Diphenylamine122-39-444 % similar 4-Methyldiphenylamine620-84-843 % similar 3,4-Dimethyldiphenylamine17802-36-742 % similar N,N′-Diphenyl-p-phenylenediamine74-31-742 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-241 % similar Diphenylamine hydrochloride537-67-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Diaminodiphenylamine136-17-4 Dipicolylamine1539-42-0 3,3′-(Phenylimino)bis[propanenitrile]1555-66-4 3-Cyclopropyl-1-phenyl-1H-pyrazol-5-amine175137-45-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia