CAS 1192814-35-9

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

Description:

4-Isothiocyanato-6-(3-pyridinyl)pyrimidine is a chemical compound characterized by its unique structure, which includes a pyrimidine ring substituted with both an isothiocyanate group and a pyridine moiety. The presence of the isothiocyanate functional group (-N=C=S) imparts notable reactivity, particularly in nucleophilic addition reactions, making it a valuable intermediate in organic synthesis and medicinal chemistry. The pyridine ring contributes to the compound's aromaticity and can influence its solubility and interaction with biological targets. This compound may exhibit biological activity, potentially serving as a lead compound in drug discovery, particularly in the context of targeting specific enzymes or receptors. Its molecular properties, such as melting point, boiling point, and solubility, would depend on the specific conditions and solvents used. Overall, 4-Isothiocyanato-6-(3-pyridinyl)pyrimidine represents a versatile scaffold for further chemical modifications and applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₀H₆N₄S

InChI: InChI=1S/C10H6N4S/c15-7-14-10-4-9(12-6-13-10)8-2-1-3-11-5-8/h1-6H

InChI key: InChIKey=OGBVYBGVSBZBLT-UHFFFAOYSA-N

SMILES: N(=C=S)C1=CC(=NC=N1)C=2C=CC=NC2

Synonyms:

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