4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine

C12H9BrClFN2 — CID 79742433

IUPAC4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C12H9BrClFN2/c1-6-11(16-7(2)17-12(6)14)9-5-8(13)3-4-10(9)15/h3-5H,1-2H3
InChIKeyHVKILQPICXSYKM-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.32
Rot. Bonds1

About 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine

4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine (PubChem CID 79742433) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
PubChem CID79742433
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC Name4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C12H9BrClFN2/c1-6-11(16-7(2)17-12(6)14)9-5-8(13)3-4-10(9)15/h3-5H,1-2H3
InChIKeyHVKILQPICXSYKM-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine 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-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine (CID 79742433) is 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine?
The InChIKey is HVKILQPICXSYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c1-6-11(16-7(2)17-12(6)14)9-5-8(13)3-4-10(9)15/h3-5H,1-2H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine?
4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine has a molecular weight of 315.57 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine is sourced from PubChem (CID 79742433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).