Basic information
- Standard SMILES
Cc1nc2nc(Cl)nc(C)c2[nH]1- InChIKey
HTIXRNAPPWCDPH-UHFFFAOYSA-N- Molecular formula
- C7H7ClN4
- Average molar mass
- 182.61 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-6,8-dimethylpurine
- IUPAC
- 2-chloro-6,8-dimethyl-7H-purine
Names & synonyms
2-chloro-6,8-dimethyl-7H-purine304905-20-22-Chloro-6,8-dimethylpurineSCHEMBL6474573SCHEMBL6474576HTIXRNAPPWCDPH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10313396
- Nikkaji
- J2.120.080H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Related reactions
2 records
Compound notes
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