4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile

C₁₁H₇ClN₄CAS 244768-32-9230.66 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Secondary amine

Properties

Molecular formula: C₁₁H₇ClN₄
Molar mass: 230.66 g/mol
Exact mass: 230.0359 Da
logP: 2.75Crippen estimate
Polar surface area: 61.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

244768-32-9

SMILES

N#Cc1ccc(Nc2nccc(Cl)n2)cc1

InChIKey

QXCHAADSAYQDHL-UHFFFAOYSA-N

InChI

InChI=1S/C11H7ClN4/c12-10-5-6-14-11(16-10)15-9-3-1-8(7-13)2-4-9/h1-6H,(H,14,15,16)

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Names and synonyms

1 names

Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-

Work with 4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile

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

4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile189956-45-465 % similar 2-Chloro-4-cyanopyridine33252-30-146 % similar 6-Chloronicotinonitrile33252-28-744 % similar 6-Chloro-2-pyridinecarbonitrile33252-29-841 % similar N-Phenyl-2-pyrimidinamine57356-49-739 % similar 2,4-Dichloropyrimidine3934-20-138 % similar 4-Chlorobenzonitrile623-03-038 % similar 2,4-Pyridinedicarbonitrile29181-50-838 % similar

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

Elsewhere

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