CAS 76360-95-7

Ethyl 2-(methylthio)-4-(2-propen-1-ylamino)-5-pyrimidinecarboxylate

Description:

Ethyl 2-(methylthio)-4-(2-propen-1-ylamino)-5-pyrimidinecarboxylate, with the CAS number 76360-95-7, is a chemical compound that belongs to the class of pyrimidine derivatives. It features a pyrimidine ring substituted with an ethyl ester group and a methylthio group, as well as a propenylamino side chain. This compound is characterized by its potential biological activity, which may include interactions with various biological targets, making it of interest in medicinal chemistry. The presence of the methylthio group can influence its lipophilicity and reactivity, while the ethyl ester moiety may affect its solubility and stability. The propenylamino group introduces a double bond, which can participate in further chemical reactions, potentially enhancing its pharmacological properties. Overall, this compound's unique structural features contribute to its potential applications in drug development and research, particularly in the fields of pharmacology and biochemistry.

Formula: C₁₁H₁₅N₃O₂S

InChI: InChI=1S/C11H15N3O2S/c1-4-6-12-9-8(10(15)16-5-2)7-13-11(14-9)17-3/h4,7H,1,5-6H2,2-3H3,(H,12,13,14)

InChI key: InChIKey=ZRNOFRPDIVVAMC-UHFFFAOYSA-N

SMILES: N(CC=C)C=1C(C(OCC)=O)=CN=C(SC)N1

Synonyms:

• 5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-(2-propenylamino)-, ethyl ester
• NSC 165307
• Ethyl 2-(methylthio)-4-(2-propen-1-ylamino)-5-pyrimidinecarboxylate
• 5-Pyrimidinecarboxylic acid, 4-(allylamino)-2-(methylthio)-, ethyl ester
• 5-Pyrimidinecarboxylic acid, 2-(methylthio)-4-(2-propen-1-ylamino)-, ethyl ester