1,2-Dimethyl-7-phenylpurin-6-one
Basic information
- CAS
83325-03-5- Standard SMILES
Cc1nc2ncn(-c3ccccc3)c2c(=O)n1C- InChIKey
VMORDPAZOBYKIX-UHFFFAOYSA-N- Molecular formula
- C13H12N4O
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.10111102
Names & identifiers
- Preferred name
- 1,2-Dimethyl-7-phenylpurin-6-one
- IUPAC
- 1,2-dimethyl-7-phenylpurin-6-one
Names & synonyms
NSC34007383325-03-5DTXSID70319131NSC-340073DS-0058911,2-Dimethyl-7-phenyl-1,7-dihydro-6H-purin-6-one6H-PURIN-6-ONE,1,7-DIHYDRO-1,2-DIMETHYL-7-PHENYL-
Database identifiers
- CAS
83325-03-5- PubChem CID
- 334567
- DTXSID
DTXSID70319131
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
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Compound notes
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