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

C10H11F3N2O3 — CID 68580627

IUPACethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)nc1OCC
InChIInChI=1S/C10H11F3N2O3/c1-3-17-7-6(8(16)18-4-2)5-14-9(15-7)10(11,12)13/h5H,3-4H2,1-2H3
InChIKeyHKAPAJOZNGHZTR-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.07
Rot. Bonds4

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

ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate (PubChem CID 68580627) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
PubChem CID68580627
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Nameethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(F)(F)F)nc1OCC
InChIInChI=1S/C10H11F3N2O3/c1-3-17-7-6(8(16)18-4-2)5-14-9(15-7)10(11,12)13/h5H,3-4H2,1-2H3
InChIKeyHKAPAJOZNGHZTR-UHFFFAOYSA-N
XLogP2.07
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-ethoxy-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-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate (CID 68580627) is ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(F)(F)F)nc1OCC.
What is the InChIKey of ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
The InChIKey is HKAPAJOZNGHZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-3-17-7-6(8(16)18-4-2)5-14-9(15-7)10(11,12)13/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate?
ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate has a molecular weight of 264.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 68580627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).