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Doravirine

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Identification
Molecular formula
C17H18N2O3
CAS number
1338247-30-5
IUPAC name
6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione
State
State

At room temperature, Doravirine is in a solid state.

Melting point (Celsius)
213.10
Melting point (Kelvin)
486.25
Boiling point (Celsius)
378.50
Boiling point (Kelvin)
651.65
General information
Molecular weight
425.49g/mol
Molar mass
425.4910g/mol
Density
1.0500g/cm3
Appearence

Doravirine typically appears as a white to off-white powder.

Comment on solubility

Solubility of 6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione (C17H18N2O3)

The solubility of a compound can be a crucial factor in its practical applications and biological interactions. For the compound 6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione, several points regarding solubility can be acknowledged:

  • General Solubility: This compound is expected to exhibit moderate solubility in organic solvents due to the presence of hydrophobic aromatic rings and functional groups.
  • Polar vs. Non-Polar: The ethoxymethyl group introduces some polar character, which suggests that the compound may be less soluble in highly polar solvents like water.
  • Influence of Structure: The bulky isopropyl group and dimethylphenyl moiety can hinder solubility in polar media, making it more readily soluble in non-polar or less polar organic solvents.

In summary, one might state that compound solubility is influenced by its complex structure. As a result, it may adhere to the principle that "like dissolves like," indicating better solubility in non-polar environments. Understanding the solubility characteristics of compounds like this one is essential for their application in pharmaceuticals and other chemical processes.

Interesting facts

Interesting Facts about 6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione

This fascinating compound combines several intriguing structural elements, making it a notable subject of study in the realm of medicinal chemistry and organic synthesis. Here are some key points to consider:

  • Complex Structure: The molecular framework features a pyrimidine ring substituted with varied functional groups, which can significantly influence its biological activity.
  • Potential Biological Activity: Compounds with similar pyrimidine structures are often investigated for their therapeutic potential, including anti-inflammatory and anti-cancer properties. The specific substitutions in this compound enhance its potential as an active pharmaceutical ingredient.
  • Versatile Synthesis: The synthesis of this compound can provide insights into synthetic methodologies that utilize both ethoxymethyl and isopropyl groups, offering rich chemistry for students and scientists alike.
  • Application in Research: As a part of ongoing research, such compounds are crucial in the development of new drugs. Their unique arrangements enable researchers to explore how changes at the molecular level affect pharmacological efficacy.
  • Structure-Activity Relationship (SAR): The detailed study of this compound can contribute to the understanding of SAR, helping scientists predict how modifications to the compound might lead to improved biological activity.

As a student or researcher, exploring the nuances of such a compound not only enhances your understanding of organic chemistry principles but also illustrates the art of blending structural design with biological function. In the words of a renowned chemist, "Chemistry is the essence of life; the molecular ballet of atoms and compounds reveals a world of infinite possibilities."

Synonyms
gca-186
I-EBU-dM
6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL
149950-61-8
CHEBI:42702
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-isopropyluracil
CHEMBL319139
6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)uracil
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
6-(3,5-dimethylbenzyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
GCA186
SCHEMBL23752310
GCA 186
DTXSID301119722
BDBM50032238
AKOS040745810
DB07820
ICX5600010
DA-73672
HY-116528
CS-0065708
NS00068797
Q27097031
6-(3,5-Dimethylbenzyl)-1-(ethoxymethyl])-5-isopropyluracil
6-(3'',5''-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL
6-(3,5-Dimethyl-benzyl)-1-ethoxymethyl-5-isopropyl-1H-pyrimidine-2,4-dione
6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione
2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)-5-(1-methylethyl)-
6-[(3,5-Dimethylphenyl)methyl]-1-(ethoxymethyl)-5-(1-methylethyl)-2,4(1H,3H)-pyrimidinedione