chempirical

2-(Chloromethyl)pyrimidine hydrochloride

C5H6Cl2N2CAS 936643-80-0165.02 g/mol

Open in Covalent MOL file
HClClNN
Alkyl halide

Properties

Molecular formula
C5H6Cl2N2
Molar mass
165.02 g/mol
Exact mass
163.9908 Da
logP
1.64Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
936643-80-0
SMILES
Cl.ClCc1ncccn1
InChIKey
XLGVMJXAZRCTRU-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2.ClH/c6-4-5-7-2-1-3-8-5;/h1-3H,4H2;1H

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 2-(chloromethyl)-, hydrochloride (1:1)

Work with 2-(Chloromethyl)pyrimidine hydrochloride

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

2-Aminomethylpyrimidine hydrochloride372118-67-754 % similar Picolyl chloride hydrochloride6959-47-354 % similar 4-Picolyl chloride hydrochloride1822-51-143 % similar 2-Chloromethylpyridine4377-33-743 % similar 2-Pyrimidinone hydrochloride38353-09-242 % similar 2-Pyrimidinemethanol42839-09-842 % similar 3-(Chloromethyl)pyridine hydrochloride6959-48-442 % similar 2-(1-Piperazinyl)pyrimidine dihydrochloride94021-22-441 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook