CAS 886498-18-6

Ethyl 2-[[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]thio]acetate

Description:

Ethyl 2-[[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]thio]acetate, identified by its CAS number 886498-18-6, is a chemical compound characterized by its unique structural features. It contains a pyrimidine ring substituted with a cyclopropyl group and a difluoromethyl group, which contribute to its biological activity and potential pharmacological properties. The presence of the thioether linkage enhances its reactivity and solubility in organic solvents. This compound is typically a solid or liquid at room temperature, depending on its specific formulation and purity. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The difluoromethyl group may influence its lipophilicity and metabolic stability, making it an interesting candidate for further research in drug development. As with many synthetic compounds, safety and handling precautions should be observed, as its biological effects and toxicity profiles would need thorough investigation in a laboratory setting.

Formula: C₁₂H₁₄F₂N₂O₂S

InChI: InChI=1S/C12H14F2N2O2S/c1-2-18-10(17)6-19-12-15-8(7-3-4-7)5-9(16-12)11(13)14/h5,7,11H,2-4,6H2,1H3

InChI key: InChIKey=NVYDLRYJQRUNRJ-UHFFFAOYSA-N

SMILES: S(CC(OCC)=O)C=1N=C(C=C(C(F)F)N1)C2CC2

Synonyms:

• Acetic acid, [[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]thio]-, ethyl ester
• Ethyl 2-[[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]thio]acetate
• Acetic acid, 2-[[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]thio]-, ethyl ester