Cas no 76-24-4 ([5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy-)

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- structure
76-24-4 structure
Product Name:[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy-
CAS No:76-24-4
MF:C8H6N4O8
MW:286.15524148941
CID:563060
PubChem ID:6435
Update Time:2025-07-17

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- Chemical and Physical Properties

Names and Identifiers

    • [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy-
    • 5,5'-dihydroxy-5,5'-bipyrimidinehexaone
    • Alloxantin
    • 5,5’-dihydroxy-5,5’-bipyrimidinehexaone
    • 5,5Dihydroxy-5,5dibarbitur
    • alloxanthin
    • Alloxantin Dihydrate
    • ALLOXANTIN HYDRATE
    • alloxathin
    • Uroxin
    • Uroxine
    • LTL3CDV62U
    • (5,5'-Bipyrimidine)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy
    • NSC-7634
    • (5,5'-Bipyrimidine)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-
    • ALLOXANTIN [MI]
    • NS00037767
    • 5,5'-dihydroxy-5,5'-bipyrimidine-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexaone
    • NSC-118963
    • 5,5'-Dihydroxy-5,5'-dibarbituric acid
    • AI3-23206
    • MFCD00042797
    • Q27283170
    • [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-
    • IWDDXZKCDHOOSF-UHFFFAOYSA-N
    • UNII-LTL3CDV62U
    • SCHEMBL137702
    • NSC 7634
    • 5, 5,5'-dihydroxy-
    • NSC7634
    • 5,5'-Dihydroxy-5,5'-bibarbituric acid
    • A0225
    • EINECS 200-947-1
    • HSDB 2081
    • AKOS024319143
    • ALLOXANTIN, DIHYDRATE
    • [5,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-
    • FT-0621992
    • 5,5'-DIHYDROXY-(5,5'-BIPYRIMIDINE)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-HEXONE
    • 76-24-4
    • 5-hydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione
    • DTXSID3058795
    • 5,5'-Bibarbituric acid, 5,5'-dihydroxy-
    • DTXCID5047827
    • 5,5'-Bibarbituric acid, 5,5'-dihydroxy-(8CI)
    • MDL： MFCD00042797
    • Inchi： 1S/C8H6N4O8/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18)
    • InChI Key： IWDDXZKCDHOOSF-UHFFFAOYSA-N
    • SMILES： OC1(C(NC(NC1=O)=O)=O)C1(C(NC(NC1=O)=O)=O)O

Computed Properties

  • Exact Mass: 286.01900
  • Monoisotopic Mass: 286.018563
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 503
  • 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
  • Surface Charge: 0
  • Tautomer Count: 15
  • XLogP3: -4
  • Topological Polar Surface Area: 191

Experimental Properties

  • Color/Form: White crystalline powder.
  • Density: 1.7122 (rough estimate)
  • Melting Point: 250?°C (dec.)(lit.)
  • Boiling Point: 428.53°C (rough estimate)
  • Flash Point: No data available
  • Refractive Index: 1.6640 (estimate)
  • PSA: 191.00000
  • LogP: -3.50420
  • Merck: 283
  • Solubility: Soluble in hot water, slightly soluble in cold water ethanol and ether. The aqueous solution is acidic
  • Vapor Pressure: No data available

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- Security Information

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- 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%

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- Pricemore >>

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[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- Related Literature

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Additional information on [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy-

Comprehensive Analysis of [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- (CAS No. 76-24-4)

[5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- (CAS No. 76-24-4) is a highly specialized organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound, characterized by its unique bipyrimidine core and multiple hydroxyl groups, exhibits remarkable potential in various applications, including drug development, catalysis, and advanced material synthesis. Its structural complexity and functional versatility make it a subject of ongoing research and innovation.

The molecular structure of [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- features a bipyrimidine backbone, which is known for its ability to participate in hydrogen bonding and π-π stacking interactions. These properties are critical in the design of supramolecular assemblies and bioactive molecules. Researchers are particularly interested in its potential as a chelating agent or ligand in coordination chemistry, where it could facilitate the development of novel metal-organic frameworks (MOFs) or catalysts.

In the context of drug discovery, [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- has been explored for its potential pharmacological activities. The presence of hydroxyl groups enhances its solubility and bioavailability, making it a promising candidate for the development of therapeutic agents. Recent studies have investigated its role in modulating enzyme activity and cellular signaling pathways, aligning with the growing demand for targeted therapies and precision medicine.

The compound's relevance extends to the field of green chemistry, where its biodegradable and non-toxic nature aligns with the global push for sustainable chemical processes. As industries seek alternatives to traditional petrochemical-derived compounds, [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- offers a viable option for eco-friendly synthesis and renewable material production.

From a materials science perspective, this compound's ability to form stable complexes with metals and other organic molecules opens doors to innovative applications in nanotechnology and electronics. For instance, its incorporation into conductive polymers or sensors could enhance performance and durability, addressing key challenges in wearable technology and IoT devices.

Given the increasing interest in AI-driven drug design and computational chemistry, [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- has also become a focal point for in silico studies. Researchers leverage machine learning algorithms to predict its interactions with biological targets, accelerating the discovery of novel therapeutics and reducing reliance on empirical testing.

In summary, [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy- (CAS No. 76-24-4) represents a multifaceted compound with broad applicability across pharmaceuticals, materials science, and sustainable chemistry. Its unique structural features and functional properties position it as a valuable asset in addressing contemporary scientific and industrial challenges. As research continues to uncover its full potential, this compound is poised to play a pivotal role in shaping the future of innovative technologies and healthcare solutions.

76-24-4 ([5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone,5,5'-dihydroxy-) Related Products

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