chempirical

2-Chloropurine

C5H3ClN4CAS 1681-15-8154.56 g/mol

Open in Covalent MOL file
NNClNNH
Aryl halide

Properties

Molecular formula
C5H3ClN4
Molar mass
154.56 g/mol
Exact mass
154.0046 Da
logP
1.01Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
1681-15-8
SMILES
C1=C2C(=NC(=N1)Cl)N=CN2
InChIKey
JBMBVWROWJGFMG-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN4/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,7,8,9,10)

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Names and synonyms

1 names
  • 2-Chloro-7H-purine

Work with 2-Chloropurine

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-5H-pyrrolo[3,2-D]pyrimidine1119280-66-847 % similar 2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-634 % similar 5-Chlorobenzimidazole4887-82-534 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-033 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-033 % similar Dichloro-S-triazine2831-66-533 % similar 2,4-Dichloro-5-fluoropyrimidine2927-71-133 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-533 % similar

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

Same formula

4-Chloro-1H-pyrazolo[3,4-D]pyrimidine5399-92-8 6-Chloropurine87-42-3

Elsewhere

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