CAS 101853-53-6

5-(3,3-Dimethyloctyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Description:

5-(3,3-Dimethyloctyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, with CAS number 101853-53-6, is a synthetic organic compound characterized by its pyrimidinetrione core structure, which features three carbonyl groups and a nitrogen-containing heterocycle. This compound is notable for its branched alkyl substituents, specifically the 3,3-dimethyloctyl and ethyl groups, which contribute to its hydrophobic properties and influence its solubility in organic solvents. The presence of multiple functional groups suggests potential reactivity, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. Its molecular structure may impart specific biological activities, although detailed studies would be necessary to elucidate its pharmacological properties. Additionally, the compound's stability, melting point, boiling point, and other physical properties would depend on its molecular interactions and the environment in which it is studied. Overall, this compound exemplifies the complexity and diversity of synthetic organic chemistry.

Formula: C₁₆H₂₈N₂O₃

InChI: InChI=1S/C16H28N2O3/c1-5-7-8-9-15(3,4)10-11-16(6-2)12(19)17-14(21)18-13(16)20/h5-11H2,1-4H3,(H2,17,18,19,20,21)

InChI key: InChIKey=RZZNIOBIRIXNIP-UHFFFAOYSA-N

SMILES: C(CC(CCCCC)(C)C)C1(CC)C(=O)NC(=O)NC1=O

Synonyms:

• 5-(3,3-Dimethyloctyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,3-dimethyloctyl)-5-ethyl-

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,3-dimethyloctyl)-5-ethyl-

CAS: 101853-53-6

Formula: C₁₆H₂₈N₂O₃

Molecular weight: 296.4051

Ref: IN-DA0005QA