2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine

C11H4Cl3F3N2 — CID 15477740

IUPAC2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(Cl)n1
InChIInChI=1S/C11H4Cl3F3N2/c12-6-2-1-5(3-7(6)13)8-4-9(11(15,16)17)19-10(14)18-8/h1-4H
InChIKeyMBBCUCGYJJGSIY-UHFFFAOYSA-N
MW327.52 g/mol
LogP5.12
Rot. Bonds1

About 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 15477740) has the molecular formula C11H4Cl3F3N2 and a molecular weight of 327.52 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
PubChem CID15477740
Molecular FormulaC11H4Cl3F3N2
Molecular Weight327.52 g/mol
Exact Mass325.94
IUPAC Name2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(Cl)n1
InChIInChI=1S/C11H4Cl3F3N2/c12-6-2-1-5(3-7(6)13)8-4-9(11(15,16)17)19-10(14)18-8/h1-4H
InChIKeyMBBCUCGYJJGSIY-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine 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

2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
2-chloro-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
CID 112693753
2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468661
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690
4-(3-bromothiophen-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114563128
4-(3,4-dichlorophenyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-6-(trifluoromethyl)pyrimidin-2-amine
CID 119056128
4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563284
4-(3,4-dichlorophenyl)-2-(4-pyridin-3-ylimidazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 141185318
6-(3,4-dichlorophenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716637
4-(3-bromofuran-2-yl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114563099
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 106763594

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine (CID 15477740) is 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is MBBCUCGYJJGSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3N2/c12-6-2-1-5(3-7(6)13)8-4-9(11(15,16)17)19-10(14)18-8/h1-4H.
What are the key properties of 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 327.52 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15477740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).