Cas no 53681-50-8 (2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl-)

2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- is a substituted pyrimidine derivative with potential applications in pharmaceutical and agrochemical research. The compound features a pyrimidinedione core, modified with an amino group at the 6-position and alkyl substituents (butyl and methyl) at the 1- and 3-positions, respectively. These structural modifications enhance its solubility and bioavailability, making it a versatile intermediate for drug development. Its well-defined molecular structure allows for precise reactivity in synthetic pathways, particularly in nucleoside and antiviral agent research. The compound’s stability under standard conditions further supports its utility in laboratory-scale synthesis and industrial applications.
2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- structure
53681-50-8 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl-
CAS No:53681-50-8
MF:C9H15N3O2
MW:197.234301805496
CID:381170
PubChem ID:2357152
Update Time:2025-06-14

2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl-
    • 6-AMINO-1-BUTYL-3-METHYL-1H-PYRIMIDINE-2,4-DIONE
    • 6-amino-1-butyl-3-methylpyrimidine-2,4-dione
    • 6-Amino-1-butyl-3-methyl-1H-pyrimidin-2,4-dion
    • 6-amino-1-butyl-3-methyluracil
    • AC1M5NL4
    • AC1Q2WVU
    • CTK4J8594
    • SBB042571
    • STL301404
    • MFCD03480191
    • 6-amino-1-butyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
    • DTXSID40368232
    • AT19399
    • EN300-04088
    • SB56472
    • 6-amino-1-butyl-3-methylpyrimidine-2,4(1H,3H)-dione
    • AKOS000117996
    • CS-0307650
    • Z56839994
    • 53681-50-8
    • MDL： MFCD03480191
    • Inchi： 1S/C9H15N3O2/c1-3-4-5-12-7(10)6-8(13)11(2)9(12)14/h6H,3-5,10H2,1-2H3
    • InChI Key： MKJULKCPESFFJU-UHFFFAOYSA-N
    • SMILES： O=C1N(C)C(C=C(N)N1CCCC)=O

Computed Properties

  • Exact Mass: 197.11655
  • Monoisotopic Mass: 197.116427
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 286
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66.6
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.153
  • Boiling Point: 292.1°C at 760 mmHg
  • Flash Point: 130.4°C
  • Refractive Index: 1.523
  • PSA: 66.64

2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- Pricemore >>

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2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- Related Literature

Additional information on 2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl-

Comprehensive Overview of 2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- (CAS No. 53681-50-8)

2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- (CAS No. 53681-50-8) is a specialized pyrimidine derivative with significant applications in pharmaceutical and biochemical research. This compound, often referred to by its systematic name, belongs to the class of heterocyclic organic compounds, which are pivotal in drug development and molecular biology. The presence of both amino and butyl functional groups enhances its reactivity and potential utility in synthetic chemistry.

In recent years, the demand for pyrimidine derivatives has surged due to their role in designing antiviral and anticancer agents. Researchers are particularly interested in 6-amino-1-butyl-3-methyl- variants for their potential to modulate enzyme activity and interact with nucleic acids. This compound's unique structure makes it a candidate for studying DNA replication inhibitors and RNA synthesis modulators, topics frequently searched in academic and industrial databases.

The synthesis of 2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- involves multi-step organic reactions, including alkylation and condensation processes. Its CAS No. 53681-50-8 serves as a critical identifier in chemical databases, ensuring accurate referencing in patents and research papers. Analytical techniques such as HPLC and NMR spectroscopy are commonly employed to verify its purity and structural integrity, addressing the growing user interest in quality control methods for APIs (Active Pharmaceutical Ingredients).

From an industrial perspective, this compound aligns with the trend toward green chemistry and sustainable synthesis. Users often search for eco-friendly pyrimidine synthesis or solvent-free reactions, highlighting the need for environmentally benign protocols. The butyl side chain in this derivative also opens doors to lipophilic drug design, a hot topic in drug delivery optimization forums.

In conclusion, 2,4(1H,3H)-Pyrimidinedione,6-amino-1-butyl-3-methyl- (CAS No. 53681-50-8) represents a versatile building block in medicinal chemistry. Its relevance to antiviral research, cancer therapy, and biocatalysis ensures continued interest from both academia and industry. Future studies may explore its derivatives for personalized medicine, a trending search term in 2024, further solidifying its importance in modern science.

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