Cas no 591210-96-7 (2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1))

2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) is a chemically stable, crystalline compound with a molecular formula of C5H11N3·HCl. Its pyrimidine core structure, featuring a tetrahydro modification and a methyl substituent at the 4-position, enhances its utility in pharmaceutical and agrochemical research. The hydrochloride salt form improves solubility in aqueous and polar solvents, facilitating formulation and handling. This compound serves as a versatile intermediate in organic synthesis, particularly for the development of heterocyclic derivatives with potential biological activity. Its well-defined structure and high purity make it suitable for precise applications in medicinal chemistry and drug discovery.
2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) structure
591210-96-7 structure
Product Name:2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1)
CAS No:591210-96-7
MF:C5H12ClN3
MW:149.621879577637
CID:5462438
Update Time:2025-11-06

2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • Z3512513301
    • 4-methyl-1,4,5,6-tetrahydropyrimidin-2-amine hydrochloride
    • 6-methyl-1,4,5,6-tetrahydro-pyrimidin-2-ylamine hydrochloride
    • 2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1)
    • Inchi: 1S/C5H11N3.ClH/c1-4-2-3-7-5(6)8-4;/h4H,2-3H2,1H3,(H3,6,7,8);1H
    • InChI Key: ZNOIAHOPHBDPRB-UHFFFAOYSA-N
    • SMILES: Cl.N1C(N)=NCCC1C

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 108
  • Topological Polar Surface Area: 50.4

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2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) Related Literature

Additional information on 2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1)

Introduction to 2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) and Its Significance in Modern Chemical Biology

2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) (CAS No. 591210-96-7) is a compound of significant interest in the field of chemical biology and pharmaceutical research. This compound belongs to the pyrimidine derivative class, which has been widely studied for its potential biological activities. The structural features of this molecule, particularly its tetrahydro-4-methyl substitution and the presence of a pyrimidinamine core, make it a promising candidate for further investigation in drug discovery and therapeutic applications.

The hydrochloride (1:1) salt form of this compound enhances its solubility and stability, making it more suitable for various biochemical assays and in vitro studies. The pyrimidine ring is a fundamental structural motif in many bioactive molecules, including nucleoside analogs that play crucial roles in antiviral and anticancer therapies. The specific modifications in 2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) contribute to its unique chemical properties and biological potential.

Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the binding interactions of this compound with biological targets. Studies suggest that the tetrahydro-4-methyl group may interact with specific amino acid residues in protein binding pockets, potentially modulating enzyme activity or receptor function. This has opened up new avenues for designing molecules with tailored pharmacological properties.

In the context of drug development, 2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) has been explored as a lead compound for several therapeutic applications. Its structural similarity to known bioactive pyrimidine derivatives makes it a valuable scaffold for medicinal chemistry. Researchers have utilized structure-activity relationship (SAR) studies to optimize the compound's pharmacokinetic and pharmacodynamic profiles. These efforts have led to the identification of novel analogs with enhanced efficacy and reduced toxicity.

The compound's potential as an antiviral agent has been particularly intriguing. Pyrimidine derivatives have shown promise in inhibiting viral replication by targeting essential enzymes such as reverse transcriptase or polymerase. The unique structural features of 2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) may contribute to its ability to interfere with viral life cycles effectively. Preliminary in vitro studies have demonstrated its inhibitory activity against certain viral strains, suggesting its therapeutic potential.

Moreover, the hydrochloride (1:1) form of this compound ensures better bioavailability and pharmacological activity. This is particularly important for oral administration routes where solubility and stability are critical factors. The salt form also facilitates easier formulation into dosage forms suitable for clinical trials and therapeutic use.

The synthesis of 2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to achieve high yields and purity levels necessary for pharmaceutical applications. Techniques such as catalytic hydrogenation and nucleophilic substitution have been utilized to construct the pyrimidine core and introduce the tetrahydro-4-methyl group efficiently.

The compound's chemical stability under various conditions has been thoroughly evaluated through spectroscopic techniques such as NMR spectroscopy and mass spectrometry. These analyses provide insights into its molecular structure and confirm its identity as per the intended formulation. Stability studies are essential for ensuring the long-term viability of pharmaceutical products and maintaining their efficacy throughout storage.

Recent research has also explored the potential role of 2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) in modulating immune responses. Pyrimidine derivatives have been shown to interact with immune cells and influence cytokine production pathways. This has implications for developing immunomodulatory therapies that could be used in treating autoimmune diseases or enhancing vaccine efficacy.

The compound's ability to cross cell membranes efficiently makes it an attractive candidate for intracellular signaling studies. Researchers are investigating its interactions with intracellular targets such as kinases and transcription factors. Understanding these interactions could lead to the development of novel therapeutic strategies targeting cellular pathways involved in diseases like cancer or inflammation.

In conclusion,2-Pyrimidinamine, 3,4,5,6-tetrahydro-4-methyl-, hydrochloride (1:1) (CAS No. 591210-96-7) is a versatile compound with significant potential in chemical biology and pharmaceutical research. Its unique structural features and biological activities make it a valuable tool for drug discovery and therapeutic development. Ongoing studies continue to uncover new applications for this compound, highlighting its importance in modern medicinal chemistry.

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