4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine

C18H9ClF6N2 — CID 154708171

IUPAC4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H9ClF6N2/c19-13-7-3-10(4-8-13)14-9-15(18(23,24)25)27-16(26-14)11-1-5-12(6-2-11)17(20,21)22/h1-9H
InChIKeyXFXSEAYGCZTILJ-UHFFFAOYSA-N
MW402.73 g/mol
LogP6.50
Rot. Bonds2

About 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine

4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 154708171) has the molecular formula C18H9ClF6N2 and a molecular weight of 402.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID154708171
Molecular FormulaC18H9ClF6N2
Molecular Weight402.73 g/mol
Exact Mass402.04
IUPAC Name4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H9ClF6N2/c19-13-7-3-10(4-8-13)14-9-15(18(23,24)25)27-16(26-14)11-1-5-12(6-2-11)17(20,21)22/h1-9H
InChIKeyXFXSEAYGCZTILJ-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.73
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine (CID 154708171) is 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is XFXSEAYGCZTILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF6N2/c19-13-7-3-10(4-8-13)14-9-15(18(23,24)25)27-16(26-14)11-1-5-12(6-2-11)17(20,21)22/h1-9H.
What are the key properties of 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 402.73 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 154708171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).