2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol

C13H13N5O2 — CID 91991251

IUPAC2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
SMILESNc1nc(Oc2ccccc2CCO)c2[nH]cnc2n1
InChIInChI=1S/C13H13N5O2/c14-13-17-11-10(15-7-16-11)12(18-13)20-9-4-2-1-3-8(9)5-6-19/h1-4,7,19H,5-6H2,(H3,14,15,16,17,18)
InChIKeyPRXSLOQPBYZGRQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.26
Rot. Bonds4

About 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol

2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol (PubChem CID 91991251) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
PubChem CID91991251
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
SMILESNc1nc(Oc2ccccc2CCO)c2[nH]cnc2n1
InChIInChI=1S/C13H13N5O2/c14-13-17-11-10(15-7-16-11)12(18-13)20-9-4-2-1-3-8(9)5-6-19/h1-4,7,19H,5-6H2,(H3,14,15,16,17,18)
InChIKeyPRXSLOQPBYZGRQ-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

6-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154
6-(2,3-difluorophenoxy)-7H-purin-2-amine
CID 114787655
6-quinolin-8-yloxy-7H-purin-2-amine
CID 114787361
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
6-(naphthalen-1-ylmethoxy)-7H-purin-2-amine
CID 5329522
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
6-(5-bromo-2-fluorophenoxy)-7H-purin-2-amine
CID 114788110
6-(4-propan-2-ylphenoxy)-7H-purin-2-amine
CID 114787126
2-chloro-6-(2-ethoxyphenoxy)-7H-purine
CID 104786931
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107712102
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol
CID 69360131

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol (CID 91991251) is 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol is Nc1nc(Oc2ccccc2CCO)c2[nH]cnc2n1.
What is the InChIKey of 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol?
The InChIKey is PRXSLOQPBYZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-13-17-11-10(15-7-16-11)12(18-13)20-9-4-2-1-3-8(9)5-6-19/h1-4,7,19H,5-6H2,(H3,14,15,16,17,18).
What are the key properties of 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol?
2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol has a molecular weight of 271.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol is sourced from PubChem (CID 91991251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).