CAS 1402150-00-8: Ethyl 2-[[(3aR,4S,6R,6aS)-6-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]acetate

Description:Ethyl 2-[[[3aR,4S,6R,6aS)-6-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]acetate, with CAS number 1402150-00-8, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as an ester, amine, and a pyrimidine ring. This compound features a tetrahydro-cyclopenta-dioxole moiety, contributing to its unique stereochemistry and potential biological activity. The presence of a chloro group and a propylthio substituent suggests possible interactions with biological targets, making it of interest in medicinal chemistry. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent, which are crucial for its application in pharmaceutical formulations or research. Overall, this compound exemplifies the complexity often found in drug-like molecules, highlighting the importance of structural diversity in the development of therapeutic agents.

Formula:C₁₉H₂₉ClN₄O₅S

InChI:InChI=1S/C19H29ClN4O5S/c1-5-7-30-18-23-16(20)13(21)17(24-18)22-10-8-11(27-9-12(25)26-6-2)15-14(10)28-19(3,4)29-15/h10-11,14-15H,5-9,21H2,1-4H3,(H,22,23,24)/t10-,11+,14+,15-/m1/s1

InChI key:InChIKey=IMKQYVRAYKKKGX-FDRIWYBQSA-N

SMILES:O=C(OCC)COC1CC(NC=2N=C(N=C(Cl)C2N)SCCC)C3OC(OC13)(C)C

Synonyms:
Acetic acid, 2-[[(3aR,4S,6R,6aS)-6-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl ester
Ethyl 2-[[(3aR,4S,6R,6aS)-6-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]acetate
Ethyl 2-[[(3aR,4S,6R,6aS)-6-[[5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl]amino]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate