4,6-diphenylpyrimidine

C16H12N2 — CID 817540

IUPAC4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14/h1-12H
InChIKeyBWRMZQGIDWILAU-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.81
Rot. Bonds2

About 4,6-diphenylpyrimidine

4,6-diphenylpyrimidine (PubChem CID 817540) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4,6-diphenylpyrimidine.

Molecular Properties

Compound Name4,6-diphenylpyrimidine
PubChem CID817540
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)ncn2)cc1
InChIInChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14/h1-12H
InChIKeyBWRMZQGIDWILAU-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-diphenylpyrimidine 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 4,6-diphenylpyrimidine?
The IUPAC name of 4,6-diphenylpyrimidine (CID 817540) is 4,6-diphenylpyrimidine.
What is the SMILES notation for 4,6-diphenylpyrimidine?
The canonical SMILES for 4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)ncn2)cc1.
What is the InChIKey of 4,6-diphenylpyrimidine?
The InChIKey is BWRMZQGIDWILAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-3-7-13(8-4-1)15-11-16(18-12-17-15)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 4,6-diphenylpyrimidine?
4,6-diphenylpyrimidine has a molecular weight of 232.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylpyrimidine is sourced from PubChem (CID 817540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).