Basic information
- Standard SMILES
COc1cc(OC)c(-c2nc3ncnc(Cl)c3[nH]2)cc1Br- InChIKey
VVKIBGYOCBNLBS-UHFFFAOYSA-N- Molecular formula
- C13H10BrClN4O2
- Average molar mass
- 369.6 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-8-(2,4-dimethoxy-5-bromo-phenyl)-purine
- IUPAC
- 8-(5-bromo-2,4-dimethoxyphenyl)-6-chloro-7H-purine
Names & synonyms
SCHEMBL10688882SCHEMBL10688885VVKIBGYOCBNLBS-UHFFFAOYSA-N6-Chloro-8-(2,4-dimethoxy-5-bromo-phenyl)-purine6-chloro-8-(5-bromo-2,4-dimethoxy-phenyl)-purine
Database identifiers
- PubChem CID
- 20153274
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
2 records
Compound notes
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