Basic information
- CAS
6937-62-8- Standard SMILES
COc1ncnc2c1ncn2Cc1ccccc1- InChIKey
TYHGYCWDNURLRY-UHFFFAOYSA-N- Molecular formula
- C13H12N4O
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.10111102
Names & identifiers
- Preferred name
- 9-Benzyl-6-Methoxy-9H-Purine
- IUPAC
- 9-benzyl-6-methoxypurine
Names & synonyms
9-Benzyl-6-methoxy-9H-purine6937-62-8DTXSID80284765RefChem:313012DTXCID00235916NSC38840CHEMBL7446SCHEMBL28939425NSC-38840
Database identifiers
- CAS
6937-62-8- PubChem CID
- 236397
- DTXSID
DTXSID80284765- ChEMBL
CHEMBL7446- Nikkaji
- J2.999.734I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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