2-(4-bromophenyl)-5-phenylpyrimidine

C16H11BrN2 — CID 768098

IUPAC2-(4-bromophenyl)-5-phenylpyrimidine
SMILESBrc1ccc(-c2ncc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C16H11BrN2/c17-15-8-6-13(7-9-15)16-18-10-14(11-19-16)12-4-2-1-3-5-12/h1-11H
InChIKeyUVFIXGWTZRLWMV-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.57
Rot. Bonds2

About 2-(4-bromophenyl)-5-phenylpyrimidine

2-(4-bromophenyl)-5-phenylpyrimidine (PubChem CID 768098) has the molecular formula C16H11BrN2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenylpyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-phenylpyrimidine
PubChem CID768098
Molecular FormulaC16H11BrN2
Molecular Weight311.18 g/mol
Exact Mass310.01
IUPAC Name2-(4-bromophenyl)-5-phenylpyrimidine
SMILESBrc1ccc(-c2ncc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C16H11BrN2/c17-15-8-6-13(7-9-15)16-18-10-14(11-19-16)12-4-2-1-3-5-12/h1-11H
InChIKeyUVFIXGWTZRLWMV-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-5-phenylpyrimidine 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-bromophenyl)-5-phenylpyrimidine?
The IUPAC name of 2-(4-bromophenyl)-5-phenylpyrimidine (CID 768098) is 2-(4-bromophenyl)-5-phenylpyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-5-phenylpyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-5-phenylpyrimidine is Brc1ccc(-c2ncc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-phenylpyrimidine?
The InChIKey is UVFIXGWTZRLWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2/c17-15-8-6-13(7-9-15)16-18-10-14(11-19-16)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-(4-bromophenyl)-5-phenylpyrimidine?
2-(4-bromophenyl)-5-phenylpyrimidine has a molecular weight of 311.18 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-phenylpyrimidine is sourced from PubChem (CID 768098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).