Basic information
- Standard SMILES
CCCCNc1nc(N)c2[nH]c(=O)n(CCC3CCCCO3)c2n1- InChIKey
AIUOYOQDUJBSLH-UHFFFAOYSA-N- Molecular formula
- C16H26N6O2
- Average molar mass
- 334.42 g/mol
Names & identifiers
- Preferred name
- 6-Amino-2-(butylamino)-9-[2-(tetrahydro-2H-Pyran-2-yl)ethyl]-7,9-dihydro-8H-Purin-8-one
- IUPAC
- 6-amino-2-(butylamino)-9-[2-(oxan-2-yl)ethyl]-7H-purin-8-one
Names & synonyms
SCHEMBL2195886SCHEMBL12174437AIUOYOQDUJBSLH-UHFFFAOYSA-N6-Amino-2-(butylamino)-9-[2-(tetrahydro-2H-Pyran-2-yl)ethyl]-7,9-dihydro-8H-Purin-8-one
Database identifiers
- PubChem CID
- 57699690
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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