4-Chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine

C₆H₅ClN₄CAS 23000-43-3168.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅ClN₄
Molar mass: 168.58 g/mol
Exact mass: 168.0203 Da
logP: 1.02Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
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

23000-43-3

SMILES

CN1C2=C(C=N1)C(=NC=N2)Cl

InChIKey

AVFLNALVPBLGEV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3

Weigh it out

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Names and synonyms

1 names

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

Work with 4-Chloro-1-methyl-1H-pyrazolo(3,4-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

4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-450 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-838 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-638 % similar 4-Chloro-quinazoline5190-68-136 % similar 4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-836 % similar 4,5,6-Trichloropyrimidine1780-27-435 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-235 % similar 4-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine35808-68-535 % similar

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

Same formula

6-Chloro-imidazo[1,2-B]pyridazin-3-amine166176-45-0 6-Chloro-9-methylpurine2346-74-9 2-Amino-4-chloropyrrolo[2,3-D]pyrimidine84955-31-7 2-Amino-6-chloroimidazo[1,2-B]pyridazine887625-09-4

Elsewhere

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