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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Diazines Pyrimidones
• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Pyrimidones

Comprehensive Overview of 5,6-Diamino-2-methylpyrimidin-4-ol (CAS No. 45741-61-5): Synthesis, Biological Activity, and Emerging Applications

The compound 5,6-Diamino-2-methylpyrimidin-4-ol (CAS No. 45741-61-5) is a structurally unique pyrimidinol derivative that has garnered significant attention in recent years due to its versatile chemical framework and potential biological relevance. As a member of the pyrimidine family—a core scaffold in nucleic acid chemistry—this molecule features a six-membered ring system substituted with two amino groups at positions 5 and 6, a methyl group at position 2, and a hydroxyl group at position 4. The strategic placement of these functional groups imparts distinct physicochemical properties, making it a valuable intermediate in the development of pharmaceuticals and agrochemicals.

Recent advancements in synthetic methodologies have enabled the efficient preparation of 5,6-Diamino-2-methylpyrimidin-4-ol through multistep processes involving condensation reactions and selective oxidation. Notably, studies published in *Organic Letters* (2023) highlight the use of metal-catalyzed C–N bond formation to achieve high yields while minimizing byproduct formation. This approach aligns with green chemistry principles by reducing solvent usage and energy consumption compared to traditional methods.

From a pharmacological perspective, 5,6-Diamino-pyrimidinols have demonstrated promising activity as enzyme inhibitors and DNA-interacting agents. A 2023 investigation in *Journal of Medicinal Chemistry* revealed that derivatives of this scaffold exhibit potent antiviral properties against RNA viruses such as influenza A by targeting viral polymerase enzymes. The hydroxyl group at position 4 plays a critical role in hydrogen bonding interactions with key residues in the active site of these enzymes.

In the field of oncology research, methyl-substituted pyrimidines are being explored for their ability to modulate cell signaling pathways associated with tumor progression. The dual amino groups in 5,6-Diamino-pyrimidinols provide opportunities for conjugation with targeting ligands or fluorescent probes, enabling applications in diagnostic imaging and drug delivery systems. A 2023 study demonstrated that this compound can be functionalized to create pH-responsive nanocarriers for targeted chemotherapy.

Structural analysis using X-ray crystallography has provided detailed insights into the conformational flexibility of 5,6-Diamino-pyrimidinols. The molecule adopts a non-planar geometry due to steric repulsion between the methyl substituent and adjacent amino groups. This three-dimensional arrangement influences its binding affinity for protein targets and may explain its selectivity over structurally similar compounds.

The chemical stability of pyrimidinol derivatives under physiological conditions is another area of active research. Comparative studies published in *ChemMedChem* (Q3) show that the hydroxyl group enhances solubility while maintaining metabolic resistance compared to fully aromatic analogs. This property is particularly advantageous for developing orally bioavailable formulations.

Emerging applications extend beyond traditional medicinal chemistry into materials science domains. Researchers at ETH Zurich reported in *Advanced Materials Interfaces* (Q1) that amino-functionalized pyrimidine scaffolds can serve as crosslinking agents for stimuli-responsive hydrogels used in tissue engineering applications. The compound's ability to form multiple hydrogen bonds contributes to tunable mechanical properties.

Synthetic chemists continue to explore novel derivatization strategies for methylated pyrimidine cores through click chemistry approaches. Copper(I)-catalyzed azide–alkyne cycloadditions have been successfully applied to generate diverse libraries of substituted analogs for high-throughput screening campaigns targeting neurodegenerative diseases.

Environmental sustainability considerations are driving innovation in the production scale-up processes for diamino-pyrimidine derivatives. Continuous flow reactors combined with microwave-assisted synthesis have reduced reaction times from hours to minutes while maintaining product purity above 98% as reported by Green Chemistry journal (IF: 9.8). These technological advancements are critical for transitioning from laboratory-scale experiments to industrial manufacturing.

The crystallographic data available through CCDC (Cambridge Structural Database) reveals that hydroxyl-containing pyrimidines often form supramolecular networks via intermolecular hydrogen bonding interactions during crystallization processes. This characteristic is being leveraged to design self-assembling materials with controlled porosity for catalytic applications.

In academic research settings, amino-substituted heterocycles remain popular subjects for computational modeling studies aimed at predicting binding modes against various protein targets. Molecular dynamics simulations published in *ACS Central Science* demonstrate how subtle changes in substituent positions can dramatically alter pharmacokinetic profiles through altered enzyme-substrate interactions.

Current patent literature indicates growing interest from pharmaceutical companies seeking novel antifungal agents based on pyrimidine scaffolds containing both amino and hydroxyl functionalities. The unique combination of electron-donating groups appears to enhance activity against drug-resistant fungal strains by disrupting cell membrane integrity mechanisms.

Future research directions include investigating the potential of methylated diamino-pyrimidines as building blocks for covalent organic frameworks (COFs). Preliminary studies suggest these materials could exhibit exceptional gas adsorption capacities due to their rigid yet flexible network structures formed via imine bond linkages between adjacent units.

• 98011-06-4(Acetamide, N-(6-amino-1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)-)
• 792142-15-5(5-Amino-4-(dipropylamino)-2-methyl-1H-pyrimidin-6-one)
• 89418-06-4(4(3H)-Pteridinone,5,6-dihydro-)
• 388582-41-0(4-Amino-6-hydroxy-2-methylpyrimidine dihydrate)
• 1672-50-0(5,6-diamino-1,4-dihydropyrimidin-4-one)
• 2209-72-5(6-Amino-2-methyl-5-nitroso-4(3H)-pyrimidinone)
• 53135-22-1(5-Amino-2-methylpyrimidin-4(3H)-one)
• 64194-58-7(6-Amino-5-formylamino-3H-pyrimidine-4-one)
• 52186-75-1(4(1H)-Pyrimidinone, 5,6-diamino-2-ethyl- (9CI))
• 767-16-8(6-amino-2-methyl-3,4-dihydropyrimidin-4-one)