4-[4-(4-bromophenyl)phenyl]pyrimidine

C16H11BrN2 — CID 174799643

IUPAC4-[4-(4-bromophenyl)phenyl]pyrimidine
SMILESBrc1ccc(-c2ccc(-c3ccncn3)cc2)cc1
InChIInChI=1S/C16H11BrN2/c17-15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-9-10-18-11-19-16/h1-11H
InChIKeyYGZIYLIIYHRFLS-UHFFFAOYSA-N
MW311.18 g/mol
LogP4.57
Rot. Bonds2

About 4-[4-(4-bromophenyl)phenyl]pyrimidine

4-[4-(4-bromophenyl)phenyl]pyrimidine (PubChem CID 174799643) has the molecular formula C16H11BrN2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)phenyl]pyrimidine
PubChem CID174799643
Molecular FormulaC16H11BrN2
Molecular Weight311.18 g/mol
Exact Mass310.01
IUPAC Name4-[4-(4-bromophenyl)phenyl]pyrimidine
SMILESBrc1ccc(-c2ccc(-c3ccncn3)cc2)cc1
InChIInChI=1S/C16H11BrN2/c17-15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-9-10-18-11-19-16/h1-11H
InChIKeyYGZIYLIIYHRFLS-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 4-[4-(4-bromophenyl)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-pyrimidin-4-ylphenyl)methanamine
CID 28815273
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
(4-pyrimidin-4-ylphenyl) formate
CID 139536850
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
4-(3-bromo-5-cyclopropylphenyl)pyrimidine
CID 172992744
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
2-(4-pyrimidin-4-ylphenyl)propanoic acid
CID 142788685
5-(4-pyrimidin-4-ylphenyl)-1,2-oxazol-3-amine
CID 145311674
4-[4-(1-adamantyl)phenyl]pyrimidine
CID 174710435
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
4-(6-bromo-2-pyridinyl)pyrimidine
CID 102457660

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)phenyl]pyrimidine?
The IUPAC name of 4-[4-(4-bromophenyl)phenyl]pyrimidine (CID 174799643) is 4-[4-(4-bromophenyl)phenyl]pyrimidine.
What is the SMILES notation for 4-[4-(4-bromophenyl)phenyl]pyrimidine?
The canonical SMILES for 4-[4-(4-bromophenyl)phenyl]pyrimidine is Brc1ccc(-c2ccc(-c3ccncn3)cc2)cc1.
What is the InChIKey of 4-[4-(4-bromophenyl)phenyl]pyrimidine?
The InChIKey is YGZIYLIIYHRFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2/c17-15-7-5-13(6-8-15)12-1-3-14(4-2-12)16-9-10-18-11-19-16/h1-11H.
What are the key properties of 4-[4-(4-bromophenyl)phenyl]pyrimidine?
4-[4-(4-bromophenyl)phenyl]pyrimidine 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 4-[4-(4-bromophenyl)phenyl]pyrimidine is sourced from PubChem (CID 174799643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).