Basic information
- Standard SMILES
CCC(O)[C@@H](CC)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1- InChIKey
DCBVAYFYFOLMIC-TZHYSIJRSA-N- Molecular formula
- C21H30N6O
- Average molar mass
- 382.5 g/mol
Names & identifiers
- Preferred name
- (3RS,4R)-4-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-hexan-3-ol
- IUPAC
- (4R)-4-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]hexan-3-ol
Names & synonyms
CHEMBL1922200SCHEMBL4490773DCBVAYFYFOLMIC-TZHYSIJRSA-NBDBM50358226(3RS, 4R)4-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-hexan-3-ol(3RS,4R)-4-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-hexan-3-ol
Database identifiers
- PubChem CID
- 10177964
- ChEMBL
CHEMBL1922200
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 458
Related reactions
1 records
Compound notes
Loading…