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Methyprylon

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Identification
Molecular formula
C16H22N2O3 • 2HCl
CAS number
78-13-5
IUPAC name
1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione;dihydrochloride
State
State

At room temperature, the compound exists as a solid.

Melting point (Celsius)
176.00
Melting point (Kelvin)
449.15
Boiling point (Celsius)
215.00
Boiling point (Kelvin)
488.15
General information
Molecular weight
512.63g/mol
Molar mass
512.6300g/mol
Density
1.2000g/cm3
Appearence

The dihydrochloride salt of Methyprylon typically appears as a crystalline powder. The coloration can vary but is generally white to off-white.

Comment on solubility

Solubility of 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione; dihydrochloride

The solubility of this compound is an intriguing aspect worth exploring. It is important to note that a variety of factors influence solubility, including:

  • Polarity: The presence of dihydrochloride indicates ionic characteristics, which often enhances solubility in polar solvents like water.
  • Hydrogen Bonding: The functional groups within this compound can engage in hydrogen bonding, potentially increasing solubility in suitable solvents.
  • Molecular Size: The larger and more complex structure may limit solubility to certain solvents, as steric hindrance could play a role.

Moreover, as a general rule of thumb, *like dissolves like*. Hence, the compound is likely to be more soluble in:

  • Polar solvents (e.g., water, methanol)
  • Organic solvents with similar polar characteristics

In contrast, it may exhibit low solubility in non-polar solvents. As stated, "Solubility is a dance between solute and solvent," signifying the delicate balance that dictates how well a compound will dissolve.

In summary, while specific empirical data on solubility may not be readily available for this compound, understanding its structural features provides valuable insights into how and where it may effectively dissolve. Further experimental evaluation would undoubtedly refine our understanding of its solubility profile.

Interesting facts

Interesting Facts about 1,3-bis[4-(diethylamino)but-2-ynyl]-5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione; dihydrochloride

This compound, with its intricate structure, belongs to a category of organic compounds known for their significant biological activity. Notably, the presence of both diethylamino and hexahydropyrimidine moieties contributes to its unique properties and potential applications.

Key Characteristics

  • Pharmacological Interest: Due to its specific structure, this compound is of interest in medicinal chemistry, especially for potential anti-cancer and anti-inflammatory properties.
  • Structure Complexity: The presence of multiple functional groups increases the compound's reactivity and interaction with biological molecules, making it a fascinating subject for synthesis and study.
  • Potential Applications: This compound could be explored for use in drug development, particularly as a lead compound or scaffold for new pharmaceuticals.

Chemical Significance

As a dihydrochloride salt, this compound likely exhibits different solubility and stability profiles compared to its free base form, making the study of its ionic characteristics quite intriguing. Researchers often investigate the salt formation process and its effects on pharmacokinetics and drug delivery systems.

Research and Development

Exploring this compound has the potential for numerous synthetic routes. Due to its multifaceted structure, scientists can engage in:

  • Structure-Activity Relationship (SAR) studies to optimize its bioactivity.
  • Cross-coupling reactions to introduce further modifications to enhance its functionality.
  • Investigating its interaction with biological targets, such as enzymes and receptors.

In conclusion, the compound presents an excellent platform for both theoretical studies and practical applications in the fields of medicinal chemistry and pharmacology. Its unique features make it a promising candidate for further research.

Synonyms
Barbituric acid, 1,3-bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenyl-, dihydrochloride
1907-84-2
DTXSID30172567
5-Ethyl-1,3-bis(4-diethylamino-2-butynyl)-5-phenylbarbituric acid dihydrochloride
1,3-Bis(4-(diethylamino)-2-butynyl)-5-ethyl-5-phenylbarbituric acid dihydrochloride
DTXCID9095058