CAS 885459-54-1

Ethyl 4-chloro-2-[(dimethylamino)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

Description:

Ethyl 4-chloro-2-[(dimethylamino)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate, identified by its CAS number 885459-54-1, is a synthetic organic compound characterized by its complex heterocyclic structure. This compound features a thieno[2,3-d]pyrimidine core, which is a fused bicyclic system containing sulfur and nitrogen atoms, contributing to its unique chemical properties. The presence of a carboxylate ester group (ethyl ester) enhances its solubility in organic solvents, making it suitable for various applications in medicinal chemistry. The dimethylamino group introduces basicity, which can influence its reactivity and interaction with biological targets. Additionally, the chloro substituent may enhance its pharmacological profile by participating in electrophilic reactions. Overall, this compound's structural features suggest potential utility in drug development, particularly in the fields of oncology or infectious diseases, where thieno-pyrimidine derivatives have shown promise. However, specific biological activity and safety profiles would require further investigation through experimental studies.

Formula: C₁₃H₁₆ClN₃O₂S

InChI: InChI=1S/C13H16ClN3O2S/c1-5-19-13(18)10-7(2)9-11(14)15-8(6-17(3)4)16-12(9)20-10/h5-6H2,1-4H3

InChI key: InChIKey=MCMGNAXSSWZJIU-UHFFFAOYSA-N

SMILES: CC=1C=2C(SC1C(OCC)=O)=NC(CN(C)C)=NC2Cl

Synonyms:

• Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-2-[(dimethylamino)methyl]-5-methyl-, ethyl ester
• Ethyl 4-chloro-2-[(dimethylamino)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate