chempirical

2-Chloro-4-methylpyrimidine

C5H5ClN2CAS 13036-57-2128.56 g/mol

Open in Covalent MOL file
NNCl
Aryl halide

Properties

Molecular formula
C5H5ClN2
Molar mass
128.56 g/mol
Exact mass
128.0141 Da
logP
1.44Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
13036-57-2
SMILES
CC1=NC(=NC=C1)Cl
InChIKey
BHAKRVSCGILCEW-UHFFFAOYSA-N
InChI
InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3

Weigh it out

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

Work with 2-Chloro-4-methylpyrimidine

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

2,4-Dichloropyrimidine3934-20-152 % similar 2-Bromo-4-methylpyrimidine130645-48-652 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-950 % similar 2-Chloro-4,6-dimethylpyrimidine4472-44-050 % similar 2-Chloro-4-methoxypyrimidine22536-63-648 % similar 2,6-Lutidine108-48-548 % similar 4-Methyl-2-pyrimidinol monohydrochloride5348-51-647 % similar 2-Mercapto-4-methylpyrimidine hydrochloride6959-66-647 % similar

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

Same formula

5-(Chloromethyl)pyrimidine101346-02-5 2-Amino-5-chloropyridine1072-98-6 3-Chloro-6-methylpyridazine1121-79-5 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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