2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine

C16H9BrClFN2 — CID 82790034

IUPAC2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)cc1Br
InChIInChI=1S/C16H9BrClFN2/c17-12-8-11(6-7-13(12)19)16-20-14(9-15(18)21-16)10-4-2-1-3-5-10/h1-9H
InChIKeyBUEHWWWBXTZSIR-UHFFFAOYSA-N
MW363.62 g/mol
LogP5.37
Rot. Bonds2

About 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine

2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine (PubChem CID 82790034) has the molecular formula C16H9BrClFN2 and a molecular weight of 363.62 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
PubChem CID82790034
Molecular FormulaC16H9BrClFN2
Molecular Weight363.62 g/mol
Exact Mass361.96
IUPAC Name2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)cc1Br
InChIInChI=1S/C16H9BrClFN2/c17-12-8-11(6-7-13(12)19)16-20-14(9-15(18)21-16)10-4-2-1-3-5-10/h1-9H
InChIKeyBUEHWWWBXTZSIR-UHFFFAOYSA-N
XLogP5.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.62
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine 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-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
4,5-Dibromo-2,6-diphenylpyrimidine
CID 1023869
4-Chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 614101
4-(3-Chlorophenyl)-6-phenylpyrimidin-2-amine
CID 12293990
N*4*-(4-Bromo-phenyl)-6-(5-chloro-2-methyl-phenyl)-pyrimidine-2,4-diamine
CID 11257777
6-(5-Bromo-2-methyl-phenyl)-N*4*-(4-chloro-phenyl)-pyrimidine-2,4-diamine
CID 11406630
(2-Bromo-4-isopropyl-phenyl)-[4-(2,6-dichloro-phenyl)-6-methyl-pyrimidin-2-yl]-ethyl-amine
CID 44266482
2-(4-Bromophenyl)-4-chloroquinazoline
CID 899321
2-(4-Bromophenyl)-4,6-diphenylpyrimidine
CID 609721
(2-Bromo-4-isopropyl-phenyl)-[4-(2-chloro-phenyl)-6-methyl-pyrimidin-2-yl]-ethyl-amine
CID 44266463

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine (CID 82790034) is 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine is Fc1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine?
The InChIKey is BUEHWWWBXTZSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClFN2/c17-12-8-11(6-7-13(12)19)16-20-14(9-15(18)21-16)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine?
2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine has a molecular weight of 363.62 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-4-chloro-6-phenylpyrimidine is sourced from PubChem (CID 82790034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).