2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine

C14H13BrClFN2 — CID 81436026

IUPAC2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)nc(-c2ccc(Br)c(F)c2)n1
InChIInChI=1S/C14H13BrClFN2/c1-8(2)5-10-7-13(16)19-14(18-10)9-3-4-11(15)12(17)6-9/h3-4,6-8H,5H2,1-2H3
InChIKeyBHOCNTXGAQIHIX-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.90
Rot. Bonds3

About 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine

2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine (PubChem CID 81436026) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
PubChem CID81436026
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1cc(Cl)nc(-c2ccc(Br)c(F)c2)n1
InChIInChI=1S/C14H13BrClFN2/c1-8(2)5-10-7-13(16)19-14(18-10)9-3-4-11(15)12(17)6-9/h3-4,6-8H,5H2,1-2H3
InChIKeyBHOCNTXGAQIHIX-UHFFFAOYSA-N
XLogP4.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine 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-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine (CID 81436026) is 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine is CC(C)Cc1cc(Cl)nc(-c2ccc(Br)c(F)c2)n1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The InChIKey is BHOCNTXGAQIHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-8(2)5-10-7-13(16)19-14(18-10)9-3-4-11(15)12(17)6-9/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine?
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine has a molecular weight of 343.63 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 81436026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).