chempirical

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

C7H6ClN3CAS 7781-10-4167.60 g/mol

Open in Covalent MOL file
NNNCl
Aryl halide

Properties

Molecular formula
C7H6ClN3
Molar mass
167.60 g/mol
Exact mass
167.0250 Da
logP
1.62Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 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
7781-10-4
SMILES
CN1C=CC2=C1N=CN=C2Cl
InChIKey
BJGDLOLPALCTJQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClN3/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3

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Work with 4-Chloro-7-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-Chloro-9-methylpurine2346-74-951 % similar 4-Chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine23000-43-350 % similar 4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine479633-63-147 % similar (4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate1146629-75-544 % similar 4-Chloro-quinazoline5190-68-140 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-239 % similar 4-Chloropyrido[2,3-D]pyrimidine28732-79-838 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-838 % 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-2-methyl-7H-pyrrolo[2,3-d]pyrimidine71149-52-5

Elsewhere

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