[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol

C13H13N5O2 — CID 10107220

IUPAC[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol
SMILESNc1nc(OCc2ccc(CO)cc2)c2[nH]cnc2n1
InChIInChI=1S/C13H13N5O2/c14-13-17-11-10(15-7-16-11)12(18-13)20-6-9-3-1-8(5-19)2-4-9/h1-4,7,19H,5-6H2,(H3,14,15,16,17,18)
InChIKeyWDCALJFMCDAVTL-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.01
Rot. Bonds4

About [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol

[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol (PubChem CID 10107220) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol
PubChem CID10107220
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol
SMILESNc1nc(OCc2ccc(CO)cc2)c2[nH]cnc2n1
InChIInChI=1S/C13H13N5O2/c14-13-17-11-10(15-7-16-11)12(18-13)20-6-9-3-1-8(5-19)2-4-9/h1-4,7,19H,5-6H2,(H3,14,15,16,17,18)
InChIKeyWDCALJFMCDAVTL-UHFFFAOYSA-N
XLogP1.01
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol?
The IUPAC name of [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol (CID 10107220) is [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol?
The canonical SMILES for [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol is Nc1nc(OCc2ccc(CO)cc2)c2[nH]cnc2n1.
What is the InChIKey of [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol?
The InChIKey is WDCALJFMCDAVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-13-17-11-10(15-7-16-11)12(18-13)20-6-9-3-1-8(5-19)2-4-9/h1-4,7,19H,5-6H2,(H3,14,15,16,17,18).
What are the key properties of [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol?
[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol has a molecular weight of 271.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methanol is sourced from PubChem (CID 10107220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).