4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine

C11H12ClF3N2O — CID 106201400

IUPAC4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(OCCC2CCC2)n1
InChIInChI=1S/C11H12ClF3N2O/c12-8-6-9(17-10(16-8)11(13,14)15)18-5-4-7-2-1-3-7/h6-7H,1-5H2
InChIKeyMOTZMABOKNCKST-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.72
Rot. Bonds4

About 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 106201400) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID106201400
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(Cl)cc(OCCC2CCC2)n1
InChIInChI=1S/C11H12ClF3N2O/c12-8-6-9(17-10(16-8)11(13,14)15)18-5-4-7-2-1-3-7/h6-7H,1-5H2
InChIKeyMOTZMABOKNCKST-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(2-cyclobutylethoxy)-2-(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 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine (CID 106201400) is 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(Cl)cc(OCCC2CCC2)n1.
What is the InChIKey of 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is MOTZMABOKNCKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-8-6-9(17-10(16-8)11(13,14)15)18-5-4-7-2-1-3-7/h6-7H,1-5H2.
What are the key properties of 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 280.68 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclobutylethoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106201400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).