2-Methyl-7-phenyl-1-pyridin-3-ylpurin-6-one
Basic information
- CAS
83325-16-0- Standard SMILES
Cc1nc2ncn(-c3ccccc3)c2c(=O)n1-c1cccnc1- InChIKey
DNYKQUVOUPXEEA-UHFFFAOYSA-N- Molecular formula
- C17H13N5O
- Average molar mass
- 303.32 g/mol
- Monoisotopic mass
- 303.11201006
Names & identifiers
- Preferred name
- 2-Methyl-7-phenyl-1-pyridin-3-ylpurin-6-one
- IUPAC
- 2-methyl-7-phenyl-1-pyridin-3-ylpurin-6-one
Names & synonyms
NSC34008183325-16-0DTXSID50319139NSC-3400812-Methyl-7-phenyl-1-(pyridin-3-yl)-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83325-16-0- PubChem CID
- 334575
- DTXSID
DTXSID50319139
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 487
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Compound notes
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