4-Chloro-6-(1H-imidazol-1-yl)pyrimidine

C₇H₅ClN₄CAS 114834-02-5180.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅ClN₄
Molar mass: 180.60 g/mol
Exact mass: 180.0203 Da
logP: 1.32Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

114834-02-5

SMILES

C1=CN(C=N1)C2=CC(=NC=N2)Cl

InChIKey

BOBHIPMYQAROLL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN4/c8-6-3-7(11-4-10-6)12-2-1-9-5-12/h1-5H

Weigh it out

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

Work with 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine

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

4,6-Dichloropyrimidine1193-21-145 % similar 1,2,4,5-Tetra(1H-imidazol-1-yl)benzene1220714-37-344 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-338 % similar 4-Chloro-6-methylpyrimidine3435-25-437 % similar 4-Chloro-6-methoxypyrimidine26452-81-334 % similar 1-(4-Bromophenyl)imidazole10040-96-733 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-833 % similar 4-(1H-Imidazol-1-yl)aniline2221-00-333 % similar

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

Same formula

5-Chloro-1-phenyl-1H-tetrazole14210-25-4

Elsewhere

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