2-(7H-purin-6-ylamino)phenol

C11H9N5O — CID 39351910

IUPAC2-(7H-purin-6-ylamino)phenol
SMILESOc1ccccc1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C11H9N5O/c17-8-4-2-1-3-7(8)16-11-9-10(13-5-12-9)14-6-15-11/h1-6,17H,(H2,12,13,14,15,16)
InChIKeyODPPKOUYJISVQX-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.80
Rot. Bonds2

About 2-(7H-purin-6-ylamino)phenol

2-(7H-purin-6-ylamino)phenol (PubChem CID 39351910) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(7H-purin-6-ylamino)phenol.

Molecular Properties

Compound Name2-(7H-purin-6-ylamino)phenol
PubChem CID39351910
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-(7H-purin-6-ylamino)phenol
SMILESOc1ccccc1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C11H9N5O/c17-8-4-2-1-3-7(8)16-11-9-10(13-5-12-9)14-6-15-11/h1-6,17H,(H2,12,13,14,15,16)
InChIKeyODPPKOUYJISVQX-UHFFFAOYSA-N
XLogP1.80
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-ylamino)phenol?
The IUPAC name of 2-(7H-purin-6-ylamino)phenol (CID 39351910) is 2-(7H-purin-6-ylamino)phenol.
What is the SMILES notation for 2-(7H-purin-6-ylamino)phenol?
The canonical SMILES for 2-(7H-purin-6-ylamino)phenol is Oc1ccccc1Nc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(7H-purin-6-ylamino)phenol?
The InChIKey is ODPPKOUYJISVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c17-8-4-2-1-3-7(8)16-11-9-10(13-5-12-9)14-6-15-11/h1-6,17H,(H2,12,13,14,15,16).
What are the key properties of 2-(7H-purin-6-ylamino)phenol?
2-(7H-purin-6-ylamino)phenol has a molecular weight of 227.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-ylamino)phenol is sourced from PubChem (CID 39351910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).