Cas no 195252-58-5 (N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine)

N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine is a substituted pyrimidine derivative characterized by its chloro and sec-butyl functional groups. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive amine and chloro groups enable selective modifications, facilitating the construction of complex heterocyclic frameworks. The sec-butyl moiety enhances lipophilicity, potentially improving bioavailability in drug design applications. The compound's stability under standard conditions and well-defined reactivity profile make it a reliable building block for research and industrial applications. Its purity and structural specificity ensure consistent performance in synthetic pathways.
N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine structure
195252-58-5 structure
Product Name:N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine
CAS No:195252-58-5
MF:C8H13ClN4
MW:200.66861987114
CID:2788787
PubChem ID:10512255
Update Time:2025-10-29

N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine Chemical and Physical Properties

Names and Identifiers

    • N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine
    • DTXSID50441040
    • N4-(sec-butyl)-6-chloropyrimidine-4,5-diamine
    • 195252-58-5
    • AKOS002666347
    • F2124-0086
    • Inchi: 1S/C8H13ClN4/c1-3-5(2)13-8-6(10)7(9)11-4-12-8/h4-5H,3,10H2,1-2H3,(H,11,12,13)
    • InChI Key: AOIZXMOMDCRHTJ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=NC=N1)NC(C)CC)N

Computed Properties

  • Exact Mass: 200.0828741Da
  • Monoisotopic Mass: 200.0828741Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 63.8?2

N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine Pricemore >>

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Additional information on N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine

Professional Introduction to N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine (CAS No. 195252-58-5)

N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural and functional properties. This compound, identified by the CAS number 195252-58-5, has garnered attention due to its potential applications in the development of novel therapeutic agents. The molecular structure of this pyrimidine derivative incorporates both a sec-butyl group and a chloro substituent, which contribute to its distinct chemical behavior and reactivity.

The importance of N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine lies in its utility as a key intermediate in synthetic chemistry. Its chemical formula and structural configuration make it a valuable building block for the synthesis of more complex molecules. In recent years, there has been growing interest in exploring the pharmacological properties of pyrimidine-based compounds, particularly those that exhibit antimicrobial and anti-inflammatory effects. The presence of both amino and chloro functional groups in N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine allows for diverse chemical modifications, enabling researchers to tailor its properties for specific applications.

Recent advancements in medicinal chemistry have highlighted the role of pyrimidine derivatives in addressing various therapeutic challenges. Studies have demonstrated that compounds with similar structural motifs can interact with biological targets in novel ways, leading to the discovery of new drug candidates. The sec-butyl group in N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine is particularly noteworthy, as it can influence the compound's solubility and metabolic stability. These factors are critical for optimizing drug delivery systems and ensuring therapeutic efficacy.

The chloro substituent on the pyrimidine ring adds another layer of complexity to the compound's behavior. Chlorinated pyrimidines are known to exhibit enhanced binding affinity to certain biological receptors, making them attractive candidates for drug development. Research has shown that such modifications can improve the potency and selectivity of pharmacological agents. In particular, N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine has been investigated for its potential role in inhibiting enzymes involved in cancer cell proliferation.

In the context of current research, N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine is being explored as a precursor for developing targeted therapies. The diamine functionality provides multiple sites for chemical modification, allowing researchers to design molecules with specific biological activities. For instance, studies have focused on incorporating this compound into nucleoside analogs that can selectively inhibit viral replication. The sec-butyl group's steric hindrance can also be leveraged to optimize drug interactions with cellular targets.

The synthesis of N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to enhance yield and purity, ensuring that the final product meets pharmaceutical standards. Techniques such as palladium-catalyzed cross-coupling reactions have been particularly useful in constructing the pyrimidine core structure efficiently.

From a computational chemistry perspective, molecular modeling studies have provided valuable insights into the interactions between N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine and biological targets. These simulations have helped researchers predict binding affinities and identify potential lead compounds for further optimization. The integration of experimental data with computational approaches has accelerated the drug discovery process significantly.

The pharmacokinetic properties of N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine are also under investigation to ensure its suitability for clinical applications. Factors such as absorption, distribution, metabolism, and excretion (ADME) are critical considerations when evaluating a compound's potential as a drug candidate. Preliminary studies suggest that this compound exhibits favorable pharmacokinetic profiles, which could enhance its therapeutic value.

In conclusion, N'4'-sec-Butyl-6-chloro-pyrimidine-4,5-diamine (CAS No. 195252-58-5) represents a promising compound in pharmaceutical research due to its unique structural features and potential applications. Ongoing studies continue to uncover new insights into its chemical behavior and biological activity, paving the way for innovative therapeutic strategies. As research progresses, this compound is expected to play a significant role in the development of next-generation pharmaceutical agents.

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