Cas no 1291787-37-5 (5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl)-)

5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl)-, is a specialized heterocyclic compound featuring a pyrimidine core substituted with a cyclopropyl group at the 4-position and a tert-butyl group at the 2-position, along with a carboxylic acid functionality. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical synthesis, particularly as an intermediate for bioactive molecules. The cyclopropyl and tert-butyl substituents enhance steric and electronic properties, influencing binding affinity and metabolic stability in target applications. Its carboxylic acid group allows for further derivatization, enabling the development of esters, amides, or other functionalized derivatives. Suitable for research in medicinal chemistry and material science, this compound offers versatility in synthetic pathways.
5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl)- structure
1291787-37-5 structure
Product Name:5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl)-
CAS No:1291787-37-5
MF:C12H16N2O2
MW:220.267642974854
CID:5273028
Update Time:2025-06-13

5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-tert-butyl-4-cyclopropylpyrimidine-5-carboxylic acid
    • 2-(Tert-butyl)-4-cyclopropylpyrimidine-5-carboxylic acid
    • 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl)-
    • Inchi: 1S/C12H16N2O2/c1-12(2,3)11-13-6-8(10(15)16)9(14-11)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,15,16)
    • InChI Key: YFGVYKSDNAOOHM-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C(C(C)(C)C)N=C1C1CC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 281
  • XLogP3: 2
  • Topological Polar Surface Area: 63.1

5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl)- Pricemore >>

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Additional information on 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl)-

Introduction to 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl) and Its Significance in Modern Chemical Biology

5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl), identified by its CAS number 1291787-37-5, is a compound of considerable interest in the field of chemical biology and pharmaceutical research. This molecule, featuring a pyrimidine core with cyclopropyl and tert-butyl substituents, has garnered attention due to its unique structural properties and potential applications in drug discovery. The pyrimidine scaffold is a fundamental motif in nucleic acid chemistry, making derivatives of this nature valuable candidates for modulating biological pathways.

The structural complexity of 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl) lies in its ability to interact with biological targets in multiple ways. The cyclopropyl group introduces steric hindrance, which can be exploited to enhance binding affinity or selectivity, while the tert-butyl group provides lipophilicity, improving membrane permeability. These features make the compound a promising candidate for developing small-molecule inhibitors or activators.

In recent years, there has been a surge in research focused on pyrimidine derivatives due to their role in various therapeutic areas. Studies have demonstrated that modifications at the 2- and 4-positions of the pyrimidine ring can significantly alter pharmacokinetic properties and target interactions. For instance, 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl) has been investigated for its potential as an antiviral agent, leveraging its ability to disrupt viral replication cycles by inhibiting key enzymes.

One of the most compelling aspects of this compound is its versatility in medicinal chemistry. Researchers have explored its derivatives as scaffolds for designing novel therapeutics targeting cancer, inflammation, and infectious diseases. The cyclopropyl moiety has been particularly noted for its ability to enhance binding to protein pockets, a feature that is often underutilized in drug design. This structural element can be particularly useful in developing compounds that require high specificity and low toxicity.

The synthesis of 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl) presents unique challenges due to the sensitivity of the functional groups involved. However, advances in synthetic methodologies have made it more feasible to produce this compound on a scalable basis. Techniques such as transition-metal-catalyzed cross-coupling reactions have been employed to introduce the cyclopropyl and tert-butyl groups with high efficiency. These methods not only improve yield but also minimize unwanted byproducts, ensuring a purer final product.

The pharmacological profile of 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl) has been extensively studied in vitro and in vivo. Preclinical data suggest that this compound exhibits potent activity against certain cancer cell lines by inhibiting key signaling pathways involved in tumor growth and metastasis. Additionally, its ability to cross the blood-brain barrier makes it an attractive candidate for treating neurological disorders.

In conclusion,5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(1,1-dimethylethyl) (CAS no. 1291787-37-5) represents a significant advancement in the field of chemical biology. Its unique structural features and promising pharmacological properties make it a valuable asset for ongoing research efforts aimed at developing novel therapeutics. As our understanding of biological systems continues to evolve,this compound will undoubtedly play a crucial role in shaping the future of drug discovery and development.

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