2-(4-methylphenyl)-6-phenyl-7H-purine

C18H14N4 — CID 11652153

IUPAC2-(4-methylphenyl)-6-phenyl-7H-purine
SMILESCc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)
InChIKeyOPFZHJCGZXEIRY-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.00
Rot. Bonds2

About 2-(4-methylphenyl)-6-phenyl-7H-purine

2-(4-methylphenyl)-6-phenyl-7H-purine (PubChem CID 11652153) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-phenyl-7H-purine.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-phenyl-7H-purine
PubChem CID11652153
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-(4-methylphenyl)-6-phenyl-7H-purine
SMILESCc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)
InChIKeyOPFZHJCGZXEIRY-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-6-phenyl-7H-purine 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-(4-methylphenyl)-6-phenyl-7H-purine?
The IUPAC name of 2-(4-methylphenyl)-6-phenyl-7H-purine (CID 11652153) is 2-(4-methylphenyl)-6-phenyl-7H-purine.
What is the SMILES notation for 2-(4-methylphenyl)-6-phenyl-7H-purine?
The canonical SMILES for 2-(4-methylphenyl)-6-phenyl-7H-purine is Cc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-phenyl-7H-purine?
The InChIKey is OPFZHJCGZXEIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-12-7-9-14(10-8-12)17-21-15(13-5-3-2-4-6-13)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22).
What are the key properties of 2-(4-methylphenyl)-6-phenyl-7H-purine?
2-(4-methylphenyl)-6-phenyl-7H-purine has a molecular weight of 286.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-phenyl-7H-purine is sourced from PubChem (CID 11652153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).