CAS 1192814-11-1

4-Isothiocyanato-6-(3-methoxyphenyl)pyrimidine

Description:

4-Isothiocyanato-6-(3-methoxyphenyl)pyrimidine is a chemical compound characterized by its pyrimidine core, which is a six-membered heterocyclic ring containing two nitrogen atoms. The presence of an isothiocyanate group (-N=C=S) at the 4-position contributes to its reactivity, particularly in nucleophilic addition reactions, making it a valuable intermediate in organic synthesis. The 6-position features a 3-methoxyphenyl substituent, which enhances the compound's lipophilicity and may influence its biological activity. This compound is of interest in medicinal chemistry and may exhibit potential pharmacological properties, including anticancer or antimicrobial activities, due to the structural features that allow for interactions with biological targets. Additionally, its unique functional groups can facilitate further chemical modifications, expanding its utility in research and development. As with many isothiocyanates, it may also possess distinct odor characteristics and should be handled with care due to potential toxicity. Overall, 4-Isothiocyanato-6-(3-methoxyphenyl)pyrimidine represents a versatile scaffold for further exploration in chemical and pharmaceutical applications.

Formula: C₁₂H₉N₃OS

InChI: InChI=1S/C12H9N3OS/c1-16-10-4-2-3-9(5-10)11-6-12(15-8-17)14-7-13-11/h2-7H,1H3

InChI key: InChIKey=YYHYJXGSBDBGSF-UHFFFAOYSA-N

SMILES: N(=C=S)C1=CC(=NC=N1)C2=CC(OC)=CC=C2

Synonyms:

• 4-Isothiocyanato-6-(3-methoxyphenyl)pyrimidine
• Pyrimidine, 4-isothiocyanato-6-(3-methoxyphenyl)-