Basic information
- Standard SMILES
Oc1ccccc1CNc1ncnc2c1ncn2C1CCCO1- InChIKey
LHJCXDMSWQSKLF-UHFFFAOYSA-N- Molecular formula
- C16H17N5O2
- Average molar mass
- 311.34 g/mol
Names & identifiers
- Preferred name
- 6-(2-Hydroxybenzylamino)-9-(tetrahydrofuran-2-yl)-purine
- IUPAC
- 2-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]phenol
Names & synonyms
CHEMBL517662SCHEMBL2003050LHJCXDMSWQSKLF-UHFFFAOYSA-N6-(2-hydroxybenzylamino)-9-(tetrahydrofuran-2-yl)-purine
Database identifiers
- PubChem CID
- 44582134
- ChEMBL
CHEMBL517662
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Related reactions
3 records
Compound notes
Loading…