chempirical

2,6-Dichloropurine

C5H2Cl2N4CAS 5451-40-1189.00 g/mol

Open in Covalent MOL file
ClNClNNHN
Aryl halide

Properties

Molecular formula
C5H2Cl2N4
Molar mass
189.00 g/mol
Exact mass
187.9657 Da
Melting point
177 °C
logP
1.61Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
5451-40-1
SMILES
Clc1nc(Cl)c2ncnc-2[nH]1
InChIKey
RMFWVOLULURGJI-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)

Weigh it out

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

Names and synonyms

8 names
  • 9H-Purine, 2,6-dichloro-
  • Purine, 2,6-dichloro-
  • 1H-Purine, 2,6-dichloro-
  • 2,6-Dichloro-9H-purine
  • 2,6-Dichloro-1H-purine
  • NSC 18395
  • 2,6-Dichloro-9H-purin
  • 2,6-Dichloro-7H-purine

Work with 2,6-Dichloropurine

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-Chloroadenine1839-18-561 % similar 2,4-Dichloro-7H-pyrrolo[2,3-D]pyrimidine90213-66-453 % similar 6-Chloropurine87-42-352 % similar 2-Amino-6-chloropurine10310-21-143 % similar Isoguanine3373-53-338 % similar 2-Fluoroadenine700-49-238 % similar 2-Chlorobenzimidazole4857-06-135 % similar 2,6-Diaminopurine1904-98-935 % similar

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

Elsewhere

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