2-[(7H-purin-6-ylamino)methyl]phenol

C12H11N5O — CID 11536042

IUPAC2-[(7H-purin-6-ylamino)methyl]phenol
SMILESOc1ccccc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
InChIKeyAKOVXPNRITVXAR-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.67
Rot. Bonds3

About 2-[(7H-purin-6-ylamino)methyl]phenol

2-[(7H-purin-6-ylamino)methyl]phenol (PubChem CID 11536042) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(7H-purin-6-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(7H-purin-6-ylamino)methyl]phenol
PubChem CID11536042
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-[(7H-purin-6-ylamino)methyl]phenol
SMILESOc1ccccc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
InChIKeyAKOVXPNRITVXAR-UHFFFAOYSA-N
XLogP1.67
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(7H-purin-6-ylamino)methyl]phenol 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 2-[(7H-purin-6-ylamino)methyl]phenol?
The IUPAC name of 2-[(7H-purin-6-ylamino)methyl]phenol (CID 11536042) is 2-[(7H-purin-6-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(7H-purin-6-ylamino)methyl]phenol?
The canonical SMILES for 2-[(7H-purin-6-ylamino)methyl]phenol is Oc1ccccc1CNc1ncnc2nc[nH]c12.
What is the InChIKey of 2-[(7H-purin-6-ylamino)methyl]phenol?
The InChIKey is AKOVXPNRITVXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17).
What are the key properties of 2-[(7H-purin-6-ylamino)methyl]phenol?
2-[(7H-purin-6-ylamino)methyl]phenol has a molecular weight of 241.25 g/mol, XLogP of 1.67, 3 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)methyl]phenol is sourced from PubChem (CID 11536042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).