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Pyrimethamine

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Identification
Molecular formula
C12H13N3O2
CAS number
58-14-0
IUPAC name
5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine
State
State

At room temperature, pyrimethamine is typically found in a solid state, specifically as a crystalline powder. It maintains this solid state under normal conditions of temperature and pressure.

Melting point (Celsius)
233.00
Melting point (Kelvin)
506.00
Boiling point (Celsius)
318.00
Boiling point (Kelvin)
591.00
General information
Molecular weight
248.28g/mol
Molar mass
248.2750g/mol
Density
1.4810g/cm3
Appearence

Pyrimethamine appears as a white to cream-colored crystalline powder. It is practically odorless and free from visible impurities. Its crystalline nature makes it have a somewhat shimmering appearance under light.

Comment on solubility

Solubility of 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine

The solubility of 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine in various solvents is a crucial factor for its applications in medicinal chemistry and formulation science. This compound displays unique solubility characteristics that are influenced by its structural components. Understanding its solubility can guide researchers in predicting its behavior during synthesis and in biological systems.

Factors Influencing Solubility

  • Polarity: The presence of the 1,3-benzodioxole ring in the structure can enhance solubility in polar organic solvents.
  • Hydrogen Bonding: The amino groups in the pyrimidine structure allow for hydrogen bonding, potentially increasing solubility in aqueous media.
  • pH Dependency: The solubility may vary significantly with pH due to ionization of the amino groups, which can lead to increased solubility in basic conditions.

In addition, it is essential to evaluate the solubility using various methods, such as:

  1. Shake Flask Method: Provides a basic understanding of solubility limits in different solvents.
  2. pH Profiling: Assessing solubility across a range of pH levels enhances understanding of its behavior in physiological conditions.

In summary, the solubility profile of 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine offers a fascinating insight into its potential utility in drug design and therapeutics, making comprehensive solubility studies invaluable for its application development.

Interesting facts

Interesting Facts about 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine

The compound 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine is an intriguing molecule that bridges aromatic compounds and heterocyclic chemistry. Here are some fascinating insights about this compound:

  • Biological Activity: Research indicates that compounds with a pyrimidine base often exhibit significant biological activity. This particular compound has been investigated for potential therapeutic effects, making it a candidate for pharmaceutical development.
  • Structural Features: The presence of the 1,3-benzodioxole moiety is notable; this structure is known for its ability to interact with biological targets due to its unique electron-rich characteristics.
  • Synthesis Approaches: The synthesis of this compound involves multi-step procedures often employing methods such as nucleophilic substitution or cyclization, showcasing the creativity and precision required in organic synthesis.
  • Pharmacophore Consideration: As a potential scaffold in drug design, the specific arrangement of nitrogen and functional groups in this compound may contribute to its biological efficacy. This highlights the importance of structure-activity relationship (SAR) studies in medicinal chemistry.
  • Complex Interactions: The molecular framework allows for diverse stereochemical arrangements, which can influence binding affinity and selectivity towards target receptors, further enhancing its significance in drug discovery.

In summary, 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine represents a fascinating intersection of chemistry and pharmacology. As we delve deeper into its properties and potential applications, it serves as a reminder of the endless possibilities within the realm of chemical compounds.

Synonyms
2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-
13932-40-6
2,4-DIAMINO-5-PIPERONYLPYRIMIDINE
Pyrimidine, 2,4-diamino-5-piperonyl-
UNII-TXE988T82W
TXE988T82W
5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine
NSC-129409
2,4-Diamino-5-(3,4-methylenedioxybenzyl)pyrimidine
WR-40070
DTXSID10161010
5-piperonyl-2,4-diaminopyrimidine
NSC 129409
DTXCID4083501
YBIRDHJXPIORJB-UHFFFAOYSA-N
CHEMBL56129
5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine
NSC129409
SCHEMBL10488901
BDBM50405974
AKOS016368593
2, 5-(1,3-benzodioxol-5-ylmethyl)-
NCI60_000663
Q27290475
5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamine #