Cas no 56673-29-1 (2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid)

2-(5-Cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid is a pyrimidine derivative with a cyano substitution at the 5-position and a carboxymethyl group at the N1-position. This compound is of interest in medicinal and synthetic chemistry due to its multifunctional structure, which serves as a versatile scaffold for further modifications. The presence of both electron-withdrawing cyano and carboxyl groups enhances its reactivity, making it suitable for nucleophilic and electrophilic transformations. Its tetrahydropyrimidine core is particularly valuable in the design of bioactive molecules, including potential enzyme inhibitors or intermediates for heterocyclic synthesis. The compound's stability and well-defined reactivity profile contribute to its utility in research and pharmaceutical development.
2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid structure
56673-29-1 structure
Product Name:2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CAS No:56673-29-1
MF:C7H5N3O4
MW:195.132301092148
MDL:MFCD09607899
CID:366187
PubChem ID:21453656
Update Time:2025-11-04

2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • 1(2H)-Pyrimidineaceticacid, 5-cyano-3,4-dihydro-2,4-dioxo-
    • [5-CYANOTHYMIN-1-YL]ACETIC ACID
    • 2-(5-cyano-2,4-dioxopyrimidin-1-yl)acetic acid
    • 2-[5-Cyano-2,4-dioxo-3,4-dihydro-(2H)pyrimidin-1-yl]acetic acid
    • 2-[5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyriMidinyl]acetic acid
    • (5-Cyan-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-essigsaeure
    • (5-cyano-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid
    • (5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
    • 2-(5-cyano-2,4-dioxo-1-pyrimidinyl)acetic acid
    • cyanodioxodihydropyrimidinylaceticacid
    • SCHEMBL11708542
    • SB56906
    • 56673-29-1
    • AKOS022132386
    • EN300-235010
    • J-506126
    • MFCD09607899
    • DTXSID90614170
    • AKOS005071958
    • Z1201625101
    • F2185-0012
    • BB-0812
    • 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
    • FT-0680846
    • 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
    • 2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)aceticacid
    • G37307
    • 5-Cyanouracil-1-yl acetic acid
    • STL250971
    • (5-cyano-2,4-dioxo-3H-pyrimidin-1-yl)acetic acid
    • (5-cyano-4-hydroxy-2-oxopyrimidin-1(2H)-yl)acetic acid
    • STL373587
    • BBL031361
    • MDL： MFCD09607899
    • Inchi： 1S/C7H5N3O4/c8-1-4-2-10(3-5(11)12)7(14)9-6(4)13/h2H,3H2,(H,11,12)(H,9,13,14)
    • InChI Key： IOAZBYWRQMHWEG-UHFFFAOYSA-N
    • SMILES： O=C1NC(C(C#N)=CN1CC(=O)O)=O

Computed Properties

  • Exact Mass: 195.02800
  • Monoisotopic Mass: 195.02800565g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 389
  • 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
  • XLogP3: -1.3
  • Topological Polar Surface Area: 111?2

Experimental Properties

  • Density: 1.67
  • Melting Point: 236-239
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.631
  • PSA: 115.95000
  • LogP: -1.50712

2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid Security Information

  • Hazard Statement： Irritant
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid Pricemore >>

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2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid Related Literature

Additional information on 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid

2-(5-Cyano-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-1-yl)Acetic Acid: A Comprehensive Overview

The compound with CAS No 56673-29-1, commonly referred to as 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid, is a significant molecule in the field of organic chemistry and pharmacology. This compound has garnered attention due to its unique structural features and potential applications in drug development. In recent years, advancements in synthetic methodologies and computational modeling have enhanced our understanding of its properties and functionalities.

Chemical Structure and Properties

The molecular structure of 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid is characterized by a tetrahydropyrimidine ring system with a cyano group at the 5-position and an acetic acid moiety attached at the 1-position. This arrangement imparts the molecule with distinct electronic and steric properties. The tetrahydropyrimidine ring is a six-membered ring containing two oxygen atoms at positions 2 and 4, creating a dioxo functionality that contributes to the molecule's stability and reactivity.

Biological Activity and Applications

Recent studies have highlighted the potential of this compound in various biological systems. For instance, research has demonstrated its ability to modulate enzyme activity and interact with cellular receptors. These findings suggest that it could serve as a lead compound for the development of novel therapeutic agents targeting specific disease pathways.

Synthesis and Optimization

The synthesis of 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid involves a multi-step process that typically begins with the preparation of the tetrahydropyrimidine core. Recent advancements in catalytic methods have enabled more efficient syntheses with improved yields and purity levels. These optimizations are critical for scaling up production to meet demand in both academic research and industrial applications.

Current Research Trends

Emerging research on this compound focuses on its role in drug delivery systems and its compatibility with various biomolecules. For example, studies are exploring its potential as a carrier for targeted drug delivery due to its ability to encapsulate or conjugate with therapeutic agents without compromising their efficacy.

Conclusion

In summary, 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid represents a promising molecule with diverse applications in organic chemistry and pharmacology. Its unique structure and functional groups make it an attractive candidate for further research into novel therapeutic strategies. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in advancing medical science.

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