4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine

C13H12BrClN2 — CID 112554781

IUPAC4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Br)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12BrClN2/c1-8(2)13-16-11(7-12(14)17-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3
InChIKeyHEOPTNAAYFPHBQ-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.68
Rot. Bonds2

About 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine

4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine (PubChem CID 112554781) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine
PubChem CID112554781
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Br)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12BrClN2/c1-8(2)13-16-11(7-12(14)17-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3
InChIKeyHEOPTNAAYFPHBQ-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine 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-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine (CID 112554781) is 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine is CC(C)c1nc(Br)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine?
The InChIKey is HEOPTNAAYFPHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-8(2)13-16-11(7-12(14)17-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3.
What are the key properties of 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine?
4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine has a molecular weight of 311.61 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 112554781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).