1-Ethyl-2-methyl-7-phenylpurin-6-one
Basic information
- CAS
83325-05-7- Standard SMILES
CCn1c(C)nc2ncn(-c3ccccc3)c2c1=O- InChIKey
LCITZANDRGABDU-UHFFFAOYSA-N- Molecular formula
- C14H14N4O
- Average molar mass
- 254.29 g/mol
- Monoisotopic mass
- 254.11676108
Names & identifiers
- Preferred name
- 1-Ethyl-2-methyl-7-phenylpurin-6-one
- IUPAC
- 1-ethyl-2-methyl-7-phenylpurin-6-one
Names & synonyms
NSC34007483325-05-7DTXSID30319132NSC-3400741-Ethyl-2-methyl-7-phenyl-purin-6-oneDS-0028351-Ethyl-2-methyl-7-phenyl-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83325-05-7- PubChem CID
- 334568
- DTXSID
DTXSID30319132
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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