2-[(2-amino-7H-purin-6-yl)amino]phenol

C11H10N6O — CID 39353072

IUPAC2-[(2-amino-7H-purin-6-yl)amino]phenol
SMILESNc1nc(Nc2ccccc2O)c2[nH]cnc2n1
InChIInChI=1S/C11H10N6O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-3-1-2-4-7(6)18/h1-5,18H,(H4,12,13,14,15,16,17)
InChIKeyCYUJSASJOIJARY-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.38
Rot. Bonds2

About 2-[(2-amino-7H-purin-6-yl)amino]phenol

2-[(2-amino-7H-purin-6-yl)amino]phenol (PubChem CID 39353072) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)amino]phenol.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)amino]phenol
PubChem CID39353072
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-[(2-amino-7H-purin-6-yl)amino]phenol
SMILESNc1nc(Nc2ccccc2O)c2[nH]cnc2n1
InChIInChI=1S/C11H10N6O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-3-1-2-4-7(6)18/h1-5,18H,(H4,12,13,14,15,16,17)
InChIKeyCYUJSASJOIJARY-UHFFFAOYSA-N
XLogP1.38
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[(2-amino-7H-purin-6-yl)amino]phenol?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]phenol (CID 39353072) is 2-[(2-amino-7H-purin-6-yl)amino]phenol.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)amino]phenol?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)amino]phenol is Nc1nc(Nc2ccccc2O)c2[nH]cnc2n1.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)amino]phenol?
The InChIKey is CYUJSASJOIJARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-3-1-2-4-7(6)18/h1-5,18H,(H4,12,13,14,15,16,17).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)amino]phenol?
2-[(2-amino-7H-purin-6-yl)amino]phenol has a molecular weight of 242.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)amino]phenol is sourced from PubChem (CID 39353072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).