Basic information
- Standard SMILES
CCC(O)C(CC)Nc1nc(NCc2ccccn2)c2ncn(C(C)C)c2n1- InChIKey
DXWFIHMYKMOOAL-UHFFFAOYSA-N- Molecular formula
- C20H29N7O
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.24335857
Names & identifiers
- IUPAC
- 4-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]hexan-3-ol
Database identifiers
- PubChem CID
- 17966264
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 466
Related reactions
1 records
Compound notes
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