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Abacavir

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Identification
Molecular formula
C14H18N6O
CAS number
136470-78-5
IUPAC name
3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol
State
State

At room temperature, Abacavir is in a solid state.

Melting point (Celsius)
165.00
Melting point (Kelvin)
438.20
Boiling point (Celsius)
557.50
Boiling point (Kelvin)
830.60
General information
Molecular weight
286.33g/mol
Molar mass
286.3340g/mol
Density
1.4100g/cm3
Appearence

Abacavir typically appears as a white to slightly yellow crystalline powder.

Comment on solubility

Solubility of 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol

The compound 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol, with the chemical formula C14H18N6O, exhibits intriguing solubility characteristics that warrant attention.

Key Points on Solubility:

  • Polar vs. Nonpolar Solvents: This compound is likely to show greater solubility in polar solvents such as water or alcohols due to the presence of the hydroxyl group (-OH), which can engage in hydrogen bonding.
  • Hydrogen Bonding: The ability of the hydroxyl group and the amino functionalities to form hydrogen bonds enhances its interaction with solvent molecules, potentially improving its solubility.
  • Aromatic Influence: The benzylamino group introduces a nonpolar region, which may hinder solubility in very polar solvents, suggesting a need for environmental context when predicting solubility.
  • Temperature Dependency: Like many organic compounds, the solubility can be temperature-dependent, often benefiting from increased temperatures to overcome intermolecular forces.

In summary, the solubility of 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol is influenced by multiple factors including solvent polarity, hydrogen bonding capabilities, and temperature. It is important to consider these variables when assessing its practical applications in various chemical environments.

Interesting facts

Interesting Facts about 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol

This fascinating compound belongs to a class of molecules known for their potential role in medicinal chemistry. Here are some captivating aspects of this specific compound:

  • Structure and Functionality: The compound features a purine base, which is significant as purines are fundamental components of nucleic acids (DNA and RNA). This structure allows for potential interactions within biological systems.
  • Biological Relevance: Its unique arrangement of functional groups, including benzylamine, suggests that it could be involved in various biological processes, possibly acting as an antagonist or agonist for specific receptors.
  • Applications in Drug Design: Compounds like this are often investigated for their pharmacological properties, particularly in treating conditions related to the central nervous system due to their ability to cross the blood-brain barrier.
  • Synthetic Pathways: The synthesis of such compounds often involves intricate multi-step organic reactions, which demand a strong understanding of organic chemistry principles. This highlights the creativity and precision required in a laboratory setting.
  • Research Potential: Scientists are continually exploring new derivatives and their effects, due to the high level of variability in interactions that can be derived from slight structural changes.

In summary, the study of 3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol not only enriches our understanding of purine analogs but also showcases the interconnectedness of chemistry and biology. As noted by researchers, "The synthesis and exploration of complex compounds remain at the forefront of modern medicinal chemistry, illuminating new pathways for drug discovery." This serves as a testament to the ongoing innovations in the field.

Synonyms
bohemine
189232-42-6
Bohemin
3-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)propan-1-ol
3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
CHEBI:86007
3-{[6-(benzylamino)-9-(propan-2-yl)-9h-purin-2-yl]amino}propan-1-ol
1-Propanol, 3-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-
CHEMBL83980
2-[(3-hydroxypropyl)amino]-6-benzylamino-9-isopropylpurine
DTXSID00274365
3-{[6-(benzylamino)-9-isopropyl-9H-purin-2-yl]amino}propan-1-ol
purine deriv. 1
2-((3-hydroxypropyl)amino)-6-benzylamino-9-isopropylpurine
Bohemine?
3-((6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl)amino)propan-1-ol
MFCD04974145
GTPL5938
SCHEMBL1443403
BDBM10633
2-(3-Hydroxypropylamino)-6-benzylamino-9-isopropylpurine
6-benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine
DTXCID70225844
EX-A931
HMS3229C10
HMS3674K11
BCP15150
HSCI1_000064
s6531
Bohemine, >=95% (HPLC), powder
AKOS026750317
CCG-206821
SDCCGSBI-0086735.P003
NCGC00165739-01
NCGC00165739-02
HY-12843
MS-25201
CS-0012711
BRD-K38622899-001-01-4
Q27075423
3-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]propan-1-ol
6-(benzylamino)-2-[(3-hydroxypropyl)amino]-9-isopropylpurine