Basic information
- Standard SMILES
CCCn1c(=O)[nH]c(=O)c2[nH]c(C)nc21- InChIKey
VBBOLFQQRTZIHZ-UHFFFAOYSA-N- Molecular formula
- C9H12N4O2
- Average molar mass
- 208.22 g/mol
Names & identifiers
- Preferred name
- 3,7-dihydro-8-methyl-3-propyl-1H-purine-2,6-dione
- IUPAC
- 8-methyl-3-propyl-7H-purine-2,6-dione
Names & synonyms
VBBOLFQQRTZIHZ-UHFFFAOYSA-N3,7-dihydro-8-methyl-3-propyl-1H-purine-2,6-dione
Database identifiers
- PubChem CID
- 20217050
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Related reactions
2 records
Compound notes
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