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Barbituric acid derivative

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Identification
Molecular formula
C14H18N2O3
CAS number
64697-40-1
IUPAC name
5-ethyl-1,3-dimethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione
State
State

This compound is a solid at room temperature. It maintains this state under normal atmospheric conditions.

Melting point (Celsius)
156.00
Melting point (Kelvin)
429.15
Boiling point (Celsius)
537.00
Boiling point (Kelvin)
810.15
General information
Molecular weight
275.35g/mol
Molar mass
275.3500g/mol
Density
1.2000g/cm3
Appearence

This compound typically appears as a white crystalline powder. Its uniform crystal form provides a consistent texture and it may have a slight chemical odor. The appearance in solid form is typical for many barbituric acid derivatives.

Comment on solubility

Solubility of 5-ethyl-1,3-dimethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione

The solubility of 5-ethyl-1,3-dimethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione is influenced by various factors such as temperature, pH, and the presence of solvents. Generally, this compound exhibits the following characteristics:

  • Polarity: Due to the presence of multiple carbonyl groups, the compound is somewhat polar. This can enhance solubility in polar solvents.
  • Solvent Dependency: It is likely to be more soluble in organic solvents like ethanol and dimethyl sulfoxide (DMSO) compared to water, owing to its large organic structure.
  • Hydrogen Bonding: The functional groups may facilitate hydrogen bonding with solvents, which can increase solubility.

In specific instances, one might find:

  • Better solubility at elevated temperatures, as increased kinetic energy helps overcome intermolecular forces.
  • Reduced solubility in aqueous solutions, particularly at neutral pH levels where ionic forms may not be favored.

Thus, it is essential to consider these factors when evaluating the solubility of this compound in various environments. Always remember to conduct solubility tests in the relevant solvents to obtain accurate data.

Interesting facts

Interesting Facts about 5-ethyl-1,3-dimethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione

The compound 5-ethyl-1,3-dimethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione is a fascinating example of a multifunctional compound that showcases intricate structural features typical of pyrimidine derivatives. Here are some captivating insights into this compound:

  • Structural Complexity: The presence of multiple alkyl and aryl substituents makes this compound a rich subject for studying structure-activity relationships in organic chemistry.
  • Pharmaceutical Potential: Compounds related to pyrimidine often exhibit a variety of biological activities. Research suggests that derivatives of hexahydropyrimidine can display activity as anti-inflammatory and anti-cancer agents.
  • Tautomerism: Due to the presence of keto and enol forms, this compound may exhibit tautomeric behavior, which can influence its reactivity and interaction with biological targets.
  • Analytical Importance: The complexity of its structure provides an excellent case study for analytical techniques such as NMR spectroscopy and mass spectrometry, used for elucidating detailed molecular structures.
  • Versatile Applications: Beyond pharmaceutical applications, similar compounds can find use in the development of agrochemicals, dyes, and as key intermediates in organic synthesis.

As a chemist or a student, investigating this compound can lead to a greater understanding of nitrogen heterocycles and their importance in medicinal chemistry. The enigmatic properties of 5-ethyl-1,3-dimethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione exemplify how intricate molecular designs can lead to diverse functional outcomes.

Synonyms
Dimethylphenobarbital
1,3-Dimethylphenobarbital
730-66-5
1,3-Dimethylphenobarbitone
N,N'-Dimethylphenobarbital
5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
1,3-Dimethyl-5-ethyl-5-phenylbarbituric acid
MLS000532164
BARBITURIC ACID, 1,3-DIMETHYL-5-ETHYL-5-PHENYL-
SMR000137105
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-ethyl-5-phenyl-
5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
BRN 0268343
DIMETHYL PHENOBARBITAL
Mephobarbital Me
Phenobarbital, permethyl
Oprea1_389985
Phenobarbital, 1,3-dimethyl
5-24-09-00297 (Beilstein Handbook Reference)
Barbituric acid, 5-ethyl-1,3-dimethyl-5-phenyl-
cid_12897
CHEMBL1349710
SCHEMBL17794053
BDBM32719
DTXSID90223281
Phenobarbital di-methyl derivative
RPJARFKGODFVHL-UHFFFAOYSA-N
HMS2501N21
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-phenyl-
AKOS024378447
NCGC00245721-01
1,3-Dimethyl derivative of Phenobarbitol
DB-219476
NS00114019
5-Ethyl-1,3-dimethyl-5-phenylbarbituric acid
N,N-Dimethyl-5-ethyl-5-phenylbarbituric acid
5-ethyl-1,3-dimethyl-5-phenyl-barbituric acid
5-Ethyl-1,3-dimethyl-5-phenyl-pyrimidine-2,4,6-trione
5-ethyl-1,3-dimethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione #