5-(Chloromethyl)pyrimidine

C₅H₅ClN₂CAS 101346-02-5128.56 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅ClN₂
Molar mass: 128.56 g/mol
Exact mass: 128.0141 Da
logP: 1.22Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

101346-02-5

SMILES

ClCc1cncnc1

InChIKey

JTDIIDXRVCNTDU-UHFFFAOYSA-N

InChI

InChI=1S/C5H5ClN2/c6-1-5-2-7-4-8-3-5/h2-4H,1H2

Weigh it out

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

Names and synonyms

1 names

Pyrimidine, 5-(chloromethyl)-

Work with 5-(Chloromethyl)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

5-Pyrimidinemethanol25193-95-748 % similar 5-Pyrimidinemethanamine25198-95-248 % similar 3-(Chloromethyl)pyridine hydrochloride6959-48-446 % similar Alpha,alpha'-Dichloro-p-xylene623-25-645 % similar Pyridine, 3-(chloromethyl)-5-iodo-, hydrochloride (1:1)879326-79-143 % similar 4-Picolyl chloride hydrochloride1822-51-142 % similar 5-Chloropyrimidine17180-94-841 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-339 % similar

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

Same formula

2-Amino-5-chloropyridine1072-98-6 3-Chloro-6-methylpyridazine1121-79-5 2-Chloro-4-methylpyrimidine13036-57-2 4-Amino-2-chloropyridine14432-12-3 4-Amino-3-chloropyridine19798-77-7 4-Chloro-2-pyridinamine19798-80-2 4-Chloro-3-pyridinamine20511-15-3 5-Chloro-3-pyridinamine22353-34-0

Elsewhere

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