chempirical

4-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine

C7H6ClN3CAS 35808-68-5167.60 g/mol

Open in Covalent MOL file
NHNNCl
Aryl halide

Properties

Molecular formula
C7H6ClN3
Molar mass
167.60 g/mol
Exact mass
167.0250 Da
logP
1.92Crippen estimate
Polar surface area
41.6 Ų
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
35808-68-5
SMILES
CC1=CC2=C(N1)N=CN=C2Cl
InChIKey
PGQJBJDESGAJSO-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClN3/c1-4-2-5-6(8)9-3-10-7(5)11-4/h2-3H,1H3,(H,9,10,11)

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Work with 4-Chloro-6-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

6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-059 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-750 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-448 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-846 % similar 4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-843 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-642 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-538 % similar 4-Chloro-6,7-dimethoxyquinazoline13790-39-138 % 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 2-Amino-5-chlorobenzimidazole5418-93-9 2,3-Diamino-6-chlorobenzonitrile548457-80-3 4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine71149-52-5 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-4

Elsewhere

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