Cas no 143504-99-8 (2,6-Diaminopyrimidin-4(3H)-one)

2,6-Diaminopyrimidin-4(3H)-one is a heterocyclic organic compound featuring a pyrimidine backbone with amino substituents at the 2- and 6-positions and a carbonyl group at the 4-position. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it serves as a key intermediate for the development of biologically active molecules. Its reactive amino and carbonyl groups enable facile functionalization, making it valuable for constructing complex heterocyclic systems. The compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its well-defined reactivity profile and compatibility with diverse synthetic methodologies underscore its utility in medicinal chemistry and material science.
2,6-Diaminopyrimidin-4(3H)-one structure
143504-99-8 structure
Product Name:2,6-Diaminopyrimidin-4(3H)-one
CAS No:143504-99-8
MF:C4H6N4O
MW:126.116639614105
CID:108396
PubChem ID:135408763
Update Time:2025-11-06

2,6-Diaminopyrimidin-4(3H)-one Chemical and Physical Properties

Names and Identifiers

    • 4(3H)-Pyrimidinone, 2,6-diamino- (9CI)
    • 2,4-DIAMINO-6(1H)-PYRIMIDINONE
    • 2,4-diamino-6(1H)-pyrimidone
    • 2,6-DIAMINO-3,4-DIHYDROPYRIMIDIN-4-ONE
    • 2,6-Diamino-4-pyrimidinol
    • 2,6-diaminopyrimidin-4(3H)-one
    • 2,4-diamino-6-hydroxy-pyrimidine
    • 2,6-diamino-(3H)-pyrimidin-4-one
    • 2,6-Diamino-4-(3-chlor-anilino)-pyrimidin
    • 2,6-diamino-4(3H)-pyrimidone
    • 2,6-diamino-4-hydroxypyrimidine
    • N4-(3-chlorophenyl)pyrimidine-2,4,6-triamine
    • N4-(3-chloro-phenyl)-pyrimidine-2,4,6-triamine
    • NS00015123
    • Tox21_113576_1
    • E85616
    • NCGC00015387-03
    • SB55681
    • CHEBI:195830
    • 56-06-4
    • 2,6-diaminopyrimidin-4-ol
    • 2,4-Diamino-6-pyrimidinone
    • NCGC00015387-09
    • s3688
    • 2,4-Diamino-6-hydroxypyrimidine, 96%
    • NSC 9302
    • CS-0020633
    • FT-0609969
    • 2,6-Diaminopyrimidin-4(1H)-one
    • 6-Hydroxy-2,4-pyrimidinediamine
    • Lopac-D1920-6
    • NSC 680818
    • MLS002153230
    • NSC 44914
    • 2,6-diamino-1,4-dihydropyrimidin-4-one
    • EINECS 200-254-4
    • CHEMBL1255934
    • 2,4-Diamino-6-pyrimidinol
    • MLS004491797
    • NSC44914
    • AB-323/25048074
    • EU-0100419
    • AC-23587
    • SR-01000076242-3
    • InChI=1/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9
    • SDCCGSBI-0050404.P002
    • AKOS000120881
    • MFCD00006098
    • 2,4-diamino-1H-pyrimidin-6-one
    • MFCD00043013
    • SB57773
    • EN300-21516
    • DAHP; 2,4-Diamino-6-hydroxypyrimidine
    • A897378
    • Tox21_113576
    • Z203045302
    • BP-13216
    • NCGC00015387-06
    • 2,6-Diamino-4(3H)-pyrimidinone
    • NCGC00261104-01
    • 2,6-diaminopyrimidine-4-one
    • AI3-52085
    • 2-Aminoisocytosine
    • 2,6-Diamino-1H-pyrimidin-4-one
    • AKOS016000171
    • NCGC00024607-02
    • NCGC00015387-04
    • 4(1H)-Pyrimidinone, 2,6-diamino-
    • 4(3H)-pyrimidinone, 2,6-diamino-
    • EDH7CNS75I
    • 2,6-Diamino-4(1H)-pyrimidinone
    • HY-100954
    • SR-01000076242-1
    • D78033
    • AKOS002676346
    • A830906
    • NCGC00015387-02
    • HMS3261C20
    • SMR001230698
    • NSC-44914
    • HB0070
    • NCGC00015387-05
    • Tocris-0476
    • PS-4212
    • 143504-99-8
    • BCP07305
    • 2,4-DIAMINO-6-HYDROXYPYRIMIDINE [MI]
    • 2,6-Diaminopyrimidin-4-one
    • 2,6-Diamino-3H-pyrimidin-4-one
    • 2,4-Diaminohypoxanthine
    • Q-200181
    • Q27277123
    • NSC680818
    • 2,6-bis(azanyl)-1H-pyrimidin-4-one
    • 2,4-Diamino-6-hydroxypyrimidiine
    • PS-4458
    • DTXSID4049038
    • AM20100370
    • 4(1H)-Pyrimidinone,6-diamino-
    • SCHEMBL12284066
    • NCGC00024607-03
    • SCHEMBL94169
    • SB57239
    • UNII-EDH7CNS75I
    • CCG-204511
    • NSC9302
    • 2,6-diamino-pyrimidin-4-ol
    • 195-66-4
    • NCGC00024607-01
    • D1321
    • 2,4-DAHP
    • NCGC00247666-01
    • NCGC00015387-01
    • 4-pyrimidinol,2,6-diamino-
    • 2,4-Diamino-6-hydroxypyrimidine
    • F1918-0034
    • DTXCID9028964
    • NSC-9302
    • SR-01000076242
    • D1920-6
    • 2,6-diamino-4-oxopyrimidine
    • 100643-27-4
    • CAS-56-06-4
    • 2 pound not6-Diaminopyrimidin-4-ol
    • HMS3370M17
    • 2,4-Diamino-6-pyrimidone 100 microg/mL in Acetonitrile:Methanol
    • 4-Pyrimidinol, 2,6-diamino- (9CI)
    • LP00419
    • HMS2234I21
    • NSC-680818
    • 2,4-Diamino-6-pyrimidone
    • 6-Aminoisocytosine
    • 2,6-Diamino-4-pyrimidinone
    • Lopac0_000419
    • Tox21_500419
    • 4-Pyrimidinol, 2,6-diamino-
    • 2,4-Diamino-6-hydroxypyrimidine,98%
    • BBL007935
    • BBL003829
    • STK508805
    • pyrimidine, 2,4-diamino-6-hydroxy-
    • STK387479
    • ALBB-027441
    • DB-272198
    • DB-052846
    • 2,6-Diaminopyrimidin-4(3H)-one
    • Inchi： 1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
    • InChI Key： SWELIMKTDYHAOY-UHFFFAOYSA-N
    • SMILES： O=C1C=C(N)N=C(N)N1

Computed Properties

  • Exact Mass: 126.05428
  • Monoisotopic Mass: 126.05416083g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 205
  • 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: -1.8
  • Topological Polar Surface Area: 93.5?2

Experimental Properties

  • PSA: 93.5

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2,6-Diaminopyrimidin-4(3H)-one Suppliers

Amadis Chemical Company Limited
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(CAS:143504-99-8)2,6-Diaminopyrimidin-4(3H)-one
Order Number:A1223894
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 22:10
Price ($):224

2,6-Diaminopyrimidin-4(3H)-one Related Literature

Additional information on 2,6-Diaminopyrimidin-4(3H)-one

Comprehensive Overview of 2,6-Diaminopyrimidin-4(3H)-one (CAS No. 143504-99-8): Properties, Applications, and Innovations

2,6-Diaminopyrimidin-4(3H)-one (CAS No. 143504-99-8) is a heterocyclic organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its versatile structural framework. This diaminopyrimidine derivative serves as a critical building block in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and antimicrobial agents. Its molecular formula, C4H6N4O, and unique pyrimidine core make it a focal point for drug discovery programs targeting diseases like cancer and infectious disorders.

Recent advancements in medicinal chemistry have highlighted the role of 2,6-Diaminopyrimidin-4(3H)-one in designing small-molecule therapeutics. Researchers are increasingly exploring its potential in precision medicine, where tailored compounds address specific genetic mutations. For instance, its incorporation into tyrosine kinase inhibitors (TKIs) has shown promise in combating resistant cancer strains, a topic frequently searched in AI-driven drug discovery platforms. The compound’s ability to form hydrogen bonds also enhances its binding affinity to biological targets, a feature leveraged in computational chemistry models.

Beyond pharmaceuticals, 143504-99-8 finds utility in agrochemical formulations. Its structural motif is integral to herbicides and fungicides, aligning with the growing demand for sustainable crop protection solutions. Industry reports suggest that derivatives of this compound exhibit low environmental persistence, addressing concerns about eco-friendly pesticides—a trending topic among environmental scientists and policymakers.

The synthesis of 2,6-Diaminopyrimidin-4(3H)-one typically involves cyclization reactions of guanidine derivatives with β-diketones, a process optimized for high yield and scalability. Analytical techniques such as HPLC and NMR spectroscopy ensure purity, a critical factor for regulatory compliance in GMP manufacturing. These methodologies are frequently discussed in patent literature and open-access chemistry journals, reflecting the compound’s commercial relevance.

In the context of green chemistry, efforts to streamline the production of 143504-99-8 using catalytic methods or biocatalysis are gaining traction. Such innovations reduce waste and energy consumption, resonating with the circular economy principles. A 2023 study published in ACS Sustainable Chemistry & Engineering demonstrated a solvent-free synthesis route, underscoring the industry’s shift toward benign-by-design strategies.

From a market perspective, the global demand for 2,6-Diaminopyrimidin-4(3H)-one is projected to grow at a CAGR of 6.2% (2023–2030), driven by its expanding applications in orphan drug development and personalized therapies. Suppliers emphasize high-purity grades (>98%) to meet the stringent requirements of clinical trial materials, a segment increasingly scrutinized in FDA submissions.

To address common queries from research communities, here are key insights:

  • Is 2,6-Diaminopyrimidin-4(3H)-one water-soluble? Limited solubility in water necessitates polar aprotic solvents like DMSO for biological assays.
  • What are the storage conditions for CAS 143504-99-8? Stable under inert atmospheres at -20°C to prolong shelf life.
  • How does it compare to analogous pyrimidines? The 3H-keto tautomer offers distinct reactivity in nucleophilic substitutions.

In summary, 2,6-Diaminopyrimidin-4(3H)-one (CAS No. 143504-99-8) exemplifies the intersection of structural elegance and functional utility in modern chemistry. Its integration into next-generation therapeutics and sustainable agrochemicals positions it as a compound of enduring scientific and industrial value.

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Amadis Chemical Company Limited
(CAS:143504-99-8)2,6-Diaminopyrimidin-4(3H)-one
A1223894
Purity:99%
Quantity:5g
Price ($):224
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