ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate

C9H9F3N2O2 — CID 10609709

IUPACethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)nc1C
InChIInChI=1S/C9H9F3N2O2/c1-3-16-7(15)6-4-13-8(9(10,11)12)14-5(6)2/h4H,3H2,1-2H3
InChIKeyLYEKBQSEKSEXLT-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.98
Rot. Bonds2

About ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 10609709) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID10609709
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Nameethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)nc1C
InChIInChI=1S/C9H9F3N2O2/c1-3-16-7(15)6-4-13-8(9(10,11)12)14-5(6)2/h4H,3H2,1-2H3
InChIKeyLYEKBQSEKSEXLT-UHFFFAOYSA-N
XLogP1.98
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate 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 ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate (CID 10609709) is ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(F)(F)F)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is LYEKBQSEKSEXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-3-16-7(15)6-4-13-8(9(10,11)12)14-5(6)2/h4H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 234.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 10609709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).