Basic information
- Standard SMILES
CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C- InChIKey
JNYINEBNIROMEU-DUSLRRAJSA-N- Molecular formula
- C23H34N6O
- Average molar mass
- 410.6 g/mol
- Monoisotopic mass
- 410.27940973
Names & identifiers
- Preferred name
- (3RS,4R)-4-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-2,2-dimethyl-hexan-3-ol
- IUPAC
- (4R)-4-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-2,2-dimethylhexan-3-ol
Names & synonyms
CHEMBL1922202SCHEMBL4489114JNYINEBNIROMEU-DUSLRRAJSA-NBDBM50358228(3RS, 4R)-4(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-2,2-dimethyl-hexan-3-ol(3RS,4R)-4-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-2,2-dimethyl-hexan-3-ol
Database identifiers
- PubChem CID
- 10136280
- ChEMBL
CHEMBL1922202
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 518
Related reactions
1 records
Compound notes
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