2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine

C14H12N8 — CID 117085827

IUPAC2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine
SMILESNc1nc(Nc2ccc(-n3ccnc3)cc2)nc2nc[nH]c12
InChIInChI=1S/C14H12N8/c15-12-11-13(18-7-17-11)21-14(20-12)19-9-1-3-10(4-2-9)22-6-5-16-8-22/h1-8H,(H4,15,17,18,19,20,21)
InChIKeyFJYOBRCDFPPGPL-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.86
Rot. Bonds3

About 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine

2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine (PubChem CID 117085827) has the molecular formula C14H12N8 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine
PubChem CID117085827
Molecular FormulaC14H12N8
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine
SMILESNc1nc(Nc2ccc(-n3ccnc3)cc2)nc2nc[nH]c12
InChIInChI=1S/C14H12N8/c15-12-11-13(18-7-17-11)21-14(20-12)19-9-1-3-10(4-2-9)22-6-5-16-8-22/h1-8H,(H4,15,17,18,19,20,21)
InChIKeyFJYOBRCDFPPGPL-UHFFFAOYSA-N
XLogP1.86
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine 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-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine (CID 117085827) is 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine is Nc1nc(Nc2ccc(-n3ccnc3)cc2)nc2nc[nH]c12.
What is the InChIKey of 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine?
The InChIKey is FJYOBRCDFPPGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8/c15-12-11-13(18-7-17-11)21-14(20-12)19-9-1-3-10(4-2-9)22-6-5-16-8-22/h1-8H,(H4,15,17,18,19,20,21).
What are the key properties of 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine?
2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine has a molecular weight of 292.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-imidazol-1-ylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 117085827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).