Basic information
- Standard SMILES
CC(C)N1CCC(NC(=O)c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1- InChIKey
KHYYKRWYVXLKKS-UHFFFAOYSA-N- Molecular formula
- C16H24N6O3
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
- IUPAC
- 1,3-dimethyl-2,6-dioxo-N-(1-propan-2-ylpiperidin-4-yl)-7H-purine-8-carboxamide
Names & synonyms
KHYYKRWYVXLKKS-UHFFFAOYSA-N1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
Database identifiers
- PubChem CID
- 86595877
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 560
Related reactions
2 records
Compound notes
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