Cas no 1250915-69-5 (4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine)

4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine is a substituted pyrimidine derivative with potential applications in pharmaceutical and agrochemical research. Its structural features, including the tert-butyl group and chloro substitution, contribute to its stability and reactivity, making it a valuable intermediate in synthetic chemistry. The dimethylamino group enhances its solubility and functional versatility. This compound is particularly useful in the development of biologically active molecules due to its ability to act as a building block for heterocyclic synthesis. Its well-defined chemical properties and purity ensure consistent performance in research and industrial applications. Proper handling and storage are recommended to maintain its integrity.
4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine structure
1250915-69-5 structure
Product Name:4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine
CAS No:1250915-69-5
MF:C10H16ClN3
MW:213.707140922546
MDL:MFCD14607583
CID:2144222
Update Time:2025-10-31

4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 4-tert-butyl-6-chloro-N,N-dimethylpyrimidin-2-amine
    • 4-(tert-Butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine
    • 4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine
    • MDL: MFCD14607583
    • Inchi: 1S/C10H16ClN3/c1-10(2,3)7-6-8(11)13-9(12-7)14(4)5/h6H,1-5H3
    • InChI Key: PKDSKQOEXFVPOV-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C(C)(C)C)=NC(=N1)N(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 188
  • Topological Polar Surface Area: 29

4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Matrix Scientific
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4-(tert-Butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine, 97%
1250915-69-5 97%
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$2160.00 2023-09-06
Matrix Scientific
132897-10g
4-(tert-Butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine, 97%
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Additional information on 4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine

Professional Introduction to Compound with CAS No 1250915-69-5 and Product Name: 4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine

The compound with the CAS number 1250915-69-5 and the product name 4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine represents a significant advancement in the field of pharmaceutical chemistry. This pyrimidine derivative has garnered considerable attention due to its unique structural properties and potential applications in medicinal chemistry. The compound's molecular structure, characterized by a tert-butyl group at the 4-position and a chloro substituent at the 6-position, combined with its N,N-dimethylpyrimidin-2-amine backbone, makes it a versatile scaffold for further chemical modifications and biological evaluations.

In recent years, pyrimidine derivatives have been extensively studied for their role in drug development. These heterocyclic compounds are known for their broad spectrum of biological activities, including antimicrobial, antiviral, anticancer, and anti-inflammatory properties. The presence of the chloro group in the molecular structure of this compound not only enhances its reactivity but also opens up possibilities for further functionalization. This reactivity is particularly valuable in the synthesis of more complex molecules that could serve as lead compounds for new therapeutic agents.

One of the most promising applications of 4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine is in the development of kinase inhibitors. Kinases are enzymes that play a crucial role in many cellular processes, including cell growth, division, and signal transduction. Dysregulation of kinase activity is often associated with various diseases, particularly cancer. By targeting specific kinases, it may be possible to develop treatments that modulate these pathways effectively. The tert-butyl group in this compound can serve as a steric anchor, helping to improve binding affinity to the target enzyme's active site. Additionally, the chloro group can participate in hydrogen bonding or other non-covalent interactions, further stabilizing the enzyme-inhibitor complex.

Recent studies have highlighted the importance of pyrimidine derivatives in the development of antiviral drugs. The structural framework of this compound shares similarities with known antiviral agents, suggesting that it may exhibit inhibitory activity against certain viral enzymes. For instance, modifications to the pyrimidine core have been shown to enhance binding to viral proteases and polymerases. The N,N-dimethylpyrimidin-2-amine moiety provides a basic nitrogen that can interact with acidic residues on the target protein, while the chloro and tert-butyl groups contribute to overall molecular shape and charge distribution, optimizing interactions within the active site.

The synthesis of 4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Key steps include nucleophilic substitution reactions to introduce the chloro group and subsequent alkylation to incorporate the N,N-dimethylpyrimidin-2-amine moiety. Advanced techniques such as palladium-catalyzed cross-coupling reactions may be employed to enhance selectivity and efficiency. The use of high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are essential for characterizing the compound's purity and confirming its structural integrity.

In vitro studies have begun to explore the biological activity of this compound. Initial assays have shown promising results in inhibiting specific kinases relevant to cancer research. The potency and selectivity of these inhibitors are critical factors that determine their suitability for further development. Additional tests are being conducted to evaluate potential side effects and toxicity profiles. These studies will provide valuable insights into how this compound interacts with biological targets and whether it can be developed into a viable therapeutic agent.

The pharmaceutical industry is increasingly interested in developing drugs with novel mechanisms of action to overcome resistance issues associated with existing treatments. Pyrimidine derivatives like 4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine offer a rich chemical space for innovation. By modifying various functional groups within the molecule, researchers can fine-tune its properties to achieve desired pharmacokinetic profiles. For example, introducing hydrophilic or lipophilic groups can influence solubility and membrane permeability, while altering electron-withdrawing or electron-donating substituents can affect metabolic stability.

Future research directions may include exploring structure-activity relationships (SAR) to identify optimal analogs of this compound. Computational modeling techniques such as molecular docking can simulate interactions between this molecule and its target proteins, providing predictive insights into its biological activity. Additionally, green chemistry principles may be applied to develop more sustainable synthetic routes that minimize waste and hazardous byproducts.

The potential applications of 4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine extend beyond oncology; it may also have utility in treating inflammatory diseases or infectious disorders. Its ability to modulate kinase activity suggests that it could interfere with pathways involved in inflammation or viral replication. Further exploration of these possibilities will require collaboration between chemists, biologists, and clinicians who can collectively assess its therapeutic potential.

In conclusion,4-(Tert-butyl)-6-chloro-N,N-dimethylpyrimidin-2-amine, represented by CAS number 1250915-69-5, represents a promising lead compound with significant potential in pharmaceutical development. Its unique structural features make it an attractive scaffold for designing new drugs targeting various diseases, particularly cancer and viral infections, through modulation of kinase activity, among other mechanisms, It continues to be an area of active research, with ongoing studies aimed at optimizing its efficacy, safety, and bioavailability, paving the way for future clinical applications.

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