Basic information
- Standard SMILES
CCCCNc1nc(N)c2nc(OC)n(CCC3CCCCO3)c2n1- InChIKey
VGGYORLSBXZOHE-UHFFFAOYSA-N- Molecular formula
- C17H28N6O2
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- N2-Butyl-8-(methoxy)-9-[2-(tetrahydro-2H-pyran-2-yl)ethyl]-9H-Purine-2,6-diamine
- IUPAC
- 2-N-butyl-8-methoxy-9-[2-(oxan-2-yl)ethyl]purine-2,6-diamine
Names & synonyms
SCHEMBL2198837VGGYORLSBXZOHE-UHFFFAOYSA-NN2-Butyl-8-(methoxy)-9-[2-(tetrahydro-2H-pyran-2-yl)ethyl]-9H-Purine-2,6-diamine
Database identifiers
- PubChem CID
- 57699622
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Related reactions
4 records
Compound notes
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