5-Pyrimidinecarbonitrile, 2,4-diamino-


Chemical Name: 5-Pyrimidinecarbonitrile, 2,4-diamino-
CAS Number: 16462-27-4
Product Number: AG001V02(AGN-PC-0JP5XW)
Synonyms:
MDL No:
Molecular Formula: C5H5N5
Molecular Weight: 135.1267

Identification/Properties


Computed Properties
Molecular Weight:
135.13g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
135.054g/mol
Monoisotopic Mass:
135.054g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
159
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#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2,4-Diaminopyrimidine-5-carbonitrile is a versatile compound widely used in chemical synthesis due to its unique reactivity and properties. In organic chemistry, it serves as a key building block for the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its ability to undergo multiple functional group transformations makes it particularly valuable in the production of complex molecules.Specifically, 2,4-Diaminopyrimidine-5-carbonitrile is commonly employed in the synthesis of heterocyclic compounds, which are important structural motifs found in many biologically active molecules. By reacting with different reagents and catalysts, this compound can participate in diverse chemical reactions such as alkylation, acylation, cyclization, and cross-coupling, enabling the construction of intricate molecular structures.Furthermore, 2,4-Diaminopyrimidine-5-carbonitrile plays a crucial role in the preparation of nucleoside analogs, which are essential components in the development of antiviral and anticancer drugs. Its incorporation into nucleotide analogs enhances their pharmacological properties and therapeutic efficacy, making it an indispensable tool in medicinal chemistry.Overall, the versatile nature of 2,4-Diaminopyrimidine-5-carbonitrile makes it an indispensable reagent in chemical synthesis, offering chemists a wide array of possibilities for creating novel compounds with diverse applications.