5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine

C6H4ClF3N2 — CID 54383530

IUPAC5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine
SMILESCc1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2/c1-3-11-2-4(7)5(12-3)6(8,9)10/h2H,1H3
InChIKeyCYCBYYCFBXBXEF-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.46
Rot. Bonds

About 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine

5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine (PubChem CID 54383530) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine
PubChem CID54383530
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine
SMILESCc1ncc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2/c1-3-11-2-4(7)5(12-3)6(8,9)10/h2H,1H3
InChIKeyCYCBYYCFBXBXEF-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-methyl-4-(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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine (CID 54383530) is 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine is Cc1ncc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is CYCBYYCFBXBXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c1-3-11-2-4(7)5(12-3)6(8,9)10/h2H,1H3.
What are the key properties of 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine?
5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 196.56 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 54383530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).