chempirical

2-Chloroadenine

C5H4ClN5CAS 1839-18-5169.57 g/mol

Open in Covalent MOL file
NH2NClNHNN
Aryl halidePrimary amine

Properties

Molecular formula
C5H4ClN5
Molar mass
169.57 g/mol
Exact mass
169.0155 Da
Melting point
above 300 °C
logP
0.54Crippen estimate
Polar surface area
80.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
1839-18-5
SMILES
Nc1nc(Cl)[nH]c2ncnc1-2
InChIKey
HBJGQJWNMZDFKL-UHFFFAOYSA-N
InChI
InChI=1S/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)

Weigh it out

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

Names and synonyms

11 names
  • 9H-Purin-6-amine, 2-chloro-
  • Adenine, 2-chloro-
  • 1H-Purin-6-amine, 2-chloro-
  • 2-Chloro-9H-purin-6-amine
  • 6-Amino-2-chloropurine
  • SQ 22982
  • 2-Chloro-6-aminopurine
  • NSC 7362
  • 6-Amino-2-chloro-9H-purine
  • 2-Chloro-1H-purin-6-amine
  • 2-Chloro-7H-purin-6-amine

Work with 2-Chloroadenine

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

2,6-Dichloropurine5451-40-161 % similar Isoguanine3373-53-361 % similar 2-Fluoroadenine700-49-261 % similar Adenine73-24-548 % similar Adenine hydrochloride2922-28-344 % similar 2,6-Diaminopurine1904-98-941 % similar Adenine sulfate321-30-238 % similar Adenine phosphate52175-10-738 % similar

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

Same formula

4-Chloro-1H-pyrazolo[3,4-D]pyrimidin-6-amine100644-65-3 2-Amino-6-chloropurine10310-21-1

Elsewhere

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