4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine

C₇H₆ClN₃CAS 71149-52-5167.60 g/mol

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Properties

Molecular formula: C₇H₆ClN₃
Molar mass: 167.60 g/mol
Exact mass: 167.0250 Da
logP: 1.92Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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

71149-52-5

SMILES

CC1=NC2=C(C=CN2)C(=N1)Cl

InChIKey

HCFJHJBEGJJOMO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClN3/c1-4-10-6(8)5-2-3-9-7(5)11-4/h2-3H,1H3,(H,9,10,11)

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Names and synonyms

1 names

4-Chloro-2-methyl-1H-pyrrolo[2,3-D]pyrimidine

Work with 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]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

2-Amino-4-chloropyrrolo[2,3-D]pyrimidine84955-31-759 % similar 4-Chloro-2-methylquinazoline6484-24-850 % similar 4-Chloro-2-methylthieno[2,3-d]pyrimidine56843-79-947 % similar 4,6-Dichloro-1H-pyrrolo[2,3-b]pyridine5912-18-543 % similar 4,6-Dichloro-1H-pyrrolo[3,2-c]pyridine67139-79-143 % similar 4,6-Dichloro-2-methyl-5-pyrimidinamine39906-04-239 % similar 7-Deazaxanthine39929-79-838 % similar 4-Chloro-7-azaindole55052-28-338 % similar

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

Same formula

6-Chloro-2-methylimidazo(1,2-b)pyridazine14793-00-1 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-6 6-Chloro-1H-indazol-3-amine16889-21-7 3-Chloro-2H-indazol-6-amine21413-23-0 4-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine35808-68-5 2-Amino-5-chlorobenzimidazole5418-93-9 2,3-Diamino-6-chlorobenzonitrile548457-80-3 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-4

Elsewhere

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