6-(4-Hydroxybenzylamino)-9-(tetrahydrofuran-2-yl)-purine

HCID 44582155
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(CNc2ncnc3c2ncn3C2CCCO2)cc1
InChIKey
MMKBTQNRHDPJOK-UHFFFAOYSA-N
Molecular formula
C16H17N5O2
Average molar mass
311.34 g/mol

Names & identifiers

Preferred name
6-(4-Hydroxybenzylamino)-9-(tetrahydrofuran-2-yl)-purine
IUPAC
4-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]phenol

Names & synonyms

CHEMBL477636SCHEMBL2003798MMKBTQNRHDPJOK-UHFFFAOYSA-N6-(4-hydroxybenzylamino)-9-(tetrahydrofuran-2-yl)-purine

Database identifiers

PubChem CID
44582155
ChEMBL
CHEMBL477636

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

Related reactions

3 records
New reaction record

Compound notes

Loading…