chempirical

6-Chloropurine

C5H3ClN4CAS 87-42-3154.56 g/mol

Open in Covalent MOL file
ClNNHNN
Aryl halide

Properties

Molecular formula
C5H3ClN4
Molar mass
154.56 g/mol
Exact mass
154.0046 Da
Melting point
175–177 °C
Boiling point
185–192 °C (at 2.25 Torr)
logP
0.96Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
87-42-3
SMILES
Clc1nc[nH]c2ncnc1-2
InChIKey
ZKBQDFAWXLTYKS-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 9H-Purine, 6-chloro-
  • Purine, 6-chloro-
  • 1H-Purine, 6-chloro-
  • 6-Chloro-9H-purine
  • NSC 744
  • 6-Chloro-1H-purine
  • 6-Chloro-7H-purine

Work with 6-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

Adenine73-24-553 % similar 6-Bromo-9H-purine767-69-153 % similar 2,6-Dichloropurine5451-40-152 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine3680-69-150 % similar Adenine hydrochloride2922-28-348 % similar 6-Benzylaminopurine1214-39-742 % similar Adenine sulfate321-30-241 % similar Adenine phosphate52175-10-741 % similar

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

Same formula

2-Chloropurine1681-15-8 4-Chloro-1H-pyrazolo[3,4-D]pyrimidine5399-92-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook