6-(3-Hydroxybenzylamino)-9-(tetrahydrofuran-2-yl)-purine

HCID 44582154
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Basic information

Standard SMILES
Oc1cccc(CNc2ncnc3c2ncn3C2CCCO2)c1
InChIKey
MNVLWJDPBMIJCW-UHFFFAOYSA-N
Molecular formula
C16H17N5O2
Average molar mass
311.34 g/mol
Monoisotopic mass
311.1382248

Names & identifiers

Preferred name
6-(3-Hydroxybenzylamino)-9-(tetrahydrofuran-2-yl)-purine
IUPAC
3-[[[9-(oxolan-2-yl)purin-6-yl]amino]methyl]phenol

Names & synonyms

CHEMBL476195SCHEMBL20014066-(3-hydroxybenzylamino)-9-(tetrahydrofuran-2-yl)-purineMNVLWJDPBMIJCW-UHFFFAOYSA-N

Database identifiers

PubChem CID
44582154
ChEMBL
CHEMBL476195

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

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