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4-Amino-5-bromo-1-tetrahydropyran-2-yl-pyrimidin-2-one

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Identification
Molecular formula
C9H11BrN3O2
CAS number
146388-18-1
IUPAC name
4-amino-5-bromo-1-tetrahydropyran-2-yl-pyrimidin-2-one
State
State

At room temperature, it generally exists as a solid. The compound maintains its solid state due to relatively strong intermolecular interactions within the crystalline lattice.

Melting point (Celsius)
244.85
Melting point (Kelvin)
518.00
Boiling point (Celsius)
392.85
Boiling point (Kelvin)
666.00
General information
Molecular weight
274.11g/mol
Molar mass
274.0460g/mol
Density
2.1806g/cm3
Appearence

It is typically a crystalline solid with an off-white to pale yellow color. The intensity of yellow or off-white can vary depending on the purity and specific conditions of synthesis. The crystals may appear opaque or slightly translucent.

Comment on solubility

Solubility of 4-amino-5-bromo-1-tetrahydropyran-2-yl-pyrimidin-2-one

The solubility of 4-amino-5-bromo-1-tetrahydropyran-2-yl-pyrimidin-2-one can be influenced by its molecular structure and functional groups. Understanding its solubility is essential for applications in pharmaceutical formulations and chemical processes. Here are some key points regarding its solubility:

  • Polarity: The presence of amino and bromo groups may increase the polarity of the molecule, potentially enhancing its solubility in polar solvents such as water.
  • Hydrogen Bonding: The amino group can participate in hydrogen bonding, which generally favors solubility in aqueous environments. This could also lead to higher solubility in alcohols.
  • Solvent Interaction: The solubility in organic solvents (like ethanol or DMSO) may be more significant due to compatibility with the hydrophobic portions of the compound.
  • Crystal Structure: The crystalline nature of the compound can also affect solubility; smaller, less dense crystals are typically more soluble than larger, denser ones.

Overall, predicting the exact solubility requires empirical measurements or computational predictions, but the factors mentioned above are crucial in understanding how 4-amino-5-bromo-1-tetrahydropyran-2-yl-pyrimidin-2-one might behave in various environments.

Interesting facts

Interesting Facts about 4-Amino-5-bromo-1-tetrahydropyran-2-yl-pyrimidin-2-one

This intriguing compound, known as 4-amino-5-bromo-1-tetrahydropyran-2-yl-pyrimidin-2-one, is part of a diverse class of organic molecules featuring both pyrimidine and tetrahydropyran structures. Here are some noteworthy points about this compound:

  • Pharmaceutical Potential: Compounds that feature both pyrimidine and tetrahydropyran moieties are often studied for their potential pharmaceutical applications. Research has suggested that they may have roles as antitumor agents, which makes them of particular interest in medicinal chemistry.
  • Synthetic Versatility: The unique structure allows for various synthetic pathways. Scientists can modify functional groups to tailor the compound's properties, enhancing its effectiveness for specific applications.
  • Role in Nucleic Acid Chemistry: Pyrimidine derivatives, including the one in focus here, are fundamental in nucleic acid chemistry. They contribute to the structure of DNA and RNA, underlining the importance of understanding such compounds in biological contexts.
  • Halogen Influence: The presence of bromine in the structure can significantly influence the compound’s reactivity and mechanism of action, which can be explored in reaction studies and drug design.

As a chemistry student or a researcher, it is fascinating to consider how compounds like 4-amino-5-bromo-1-tetrahydropyran-2-yl-pyrimidin-2-one bridge multiple fields—ranging from synthetic chemistry to biochemistry. "The beauty of chemistry lies in the detail of molecular structure; each atom tells a story!" This compound is a perfect exemplification of such beauty.

Synonyms
5580-94-9
5-Bromo-1-(tetrahydropyran-2-yl)cytosine
Cytosine, 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-
CYTOSINE, 5-BROMO-1-(TETRAHYDROPYRAN-2-YL)-
MLS002703416
4-Amino-5-bromo-1-(tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one
NSC 97839
BRN 1577609
NSC97839
NCIOpen2_006695
5-25-14-00444 (Beilstein Handbook Reference)
CHEMBL1870009
NSC-97839
SMR001570135