2-Methyl-1-(2-methylpropyl)-7-phenylpurin-6-one
Basic information
- CAS
83325-07-9- Standard SMILES
Cc1nc2ncn(-c3ccccc3)c2c(=O)n1CC(C)C- InChIKey
DCQWHCWRIGWFFY-UHFFFAOYSA-N- Molecular formula
- C16H18N4O
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.14806121
Names & identifiers
- Preferred name
- 2-Methyl-1-(2-methylpropyl)-7-phenylpurin-6-one
- IUPAC
- 2-methyl-1-(2-methylpropyl)-7-phenylpurin-6-one
Names & synonyms
NSC34007683325-07-9DTXSID50319134NSC-340076DS-0042222-methyl-1-(2-methylpropyl)-7-phenyl-purin-6-one2-Methyl-1-(2-methylpropyl)-7-phenyl-1,7-dihydro-6H-purin-6-one
Database identifiers
- CAS
83325-07-9- PubChem CID
- 334570
- DTXSID
DTXSID50319134
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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