Basic information
- CAS
83334-81-0- Standard SMILES
CCCn1c(C)nc2ncn(-c3ccccc3)c2c1=O- InChIKey
NEHKYKOHTGPWQN-UHFFFAOYSA-N- Molecular formula
- C15H16N4O
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.13241115
Names & identifiers
- Preferred name
- 2-Methyl-7-phenyl-1-propylpurin-6-one
- IUPAC
- 2-methyl-7-phenyl-1-propylpurin-6-one
Names & synonyms
NSC34007583334-81-0DTXSID90319133NSC-3400752-methyl-7-phenyl-1-propyl-purin-6-oneDS-0134532-Methyl-7-phenyl-1-propyl-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83334-81-0- PubChem CID
- 334569
- DTXSID
DTXSID90319133
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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