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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4,6-Pyrimidinedicarboxylic acid

OC(=O)c1ncnc(c1)C(=O)O Request for Quotation
Chemical Name: 4,6-Pyrimidinedicarboxylic acid
CAS Number: 16490-02-1
Product Number: AG001V4P(AGN-PC-0JOEQH)
Synonyms:
MDL No:
Molecular Formula: C6H4N2O4
Molecular Weight: 168.1070

Identification/Properties

Computed Properties
Molecular Weight:
168.108g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
168.017g/mol
Monoisotopic Mass:
168.017g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Pyrimidine-4,6-dicarboxylic acid, also known as PDTA, is a versatile compound that finds widespread application in chemical synthesis. As a bifunctional ligand, PDTA is commonly employed in coordination chemistry to form stable complexes with various metal ions, such as copper, nickel, and zinc. These complexes exhibit unique catalytic properties and have been utilized in organic transformations, including cross-coupling reactions, asymmetric synthesis, and C-H activation.In addition to its role as a ligand, Pyrimidine-4,6-dicarboxylic acid can also act as a chelating agent in complexation reactions. Its ability to coordinate with metal ions allows for the formation of metal-organic frameworks and coordination polymers, which have applications in materials science and catalysis. Moreover, PDTA can be used as a precursor in the synthesis of heterocyclic compounds and pharmaceuticals due to its structural diversity and reactive sites.Overall, Pyrimidine-4,6-dicarboxylic acid serves as a valuable building block in chemical synthesis, offering a wide range of possibilities for the creation of functional materials and bioactive molecules.