3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole

C₁₃H₁₀ClN₃CAS 1032452-86-0243.69 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₀ClN₃
Molar mass: 243.69 g/mol
Exact mass: 243.0563 Da
logP: 3.29Crippen estimate
Polar surface area: 30.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

1032452-86-0

SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)Cl

InChIKey

IIBWXYHPBMUNJP-UHFFFAOYSA-N

InChI

InChI=1S/C13H10ClN3/c1-17-8-10(9-4-2-3-5-12(9)17)11-6-7-15-13(14)16-11/h2-8H,1H3

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Names and synonyms

1 names

3-(2-Chloropyrimidin-4-yl)-1-methylindole

Work with 3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole

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-Chloro-4-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]pyrimidine1269440-58-541 % similar 1-Methylindole-3-carboxaldehyde19012-03-438 % similar N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine1421372-67-937 % similar Osimertinib1421373-65-035 % similar 2-Chloro-4-methylpyrimidine13036-57-234 % similar 1-Methylbenzimidazole1632-83-333 % similar 2,4-Dichloropyrimidine3934-20-133 % similar 2-Chloro-4-methoxypyrimidine22536-63-632 % similar

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

Elsewhere

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