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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)-

3-(2-aminopyrimidin-5-yl)benzoic acid

Nc1ncc(cn1)c1cccc(c1)C(=O)O Request for Quotation
Chemical Name: 3-(2-aminopyrimidin-5-yl)benzoic acid
CAS Number: 914349-45-4
Product Number: AG00H12B(AGN-PC-07A1FQ)
Synonyms:
MDL No:
Molecular Formula: C11H9N3O2
Molecular Weight: 215.2081

Identification/Properties

Properties
BP:
552.7 °C at 760 mmHg
Storage:
Light sensitive;Inert atmosphere;Room Temperature;
Computed Properties
Molecular Weight:
215.212g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
215.069g/mol
Monoisotopic Mass:
215.069g/mol
Topological Polar Surface Area:
89.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
252
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:
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


3-(2-Aminopyrimidin-5-yl)benzoic acid is a versatile compound commonly employed in chemical synthesis for its unique reactivity and functional group compatibility. This compound serves as an important building block in organic chemistry, particularly in the synthesis of various heterocyclic compounds and pharmaceutical intermediates. With its distinctive 2-aminopyrimidine moiety and carboxylic acid functionality, it participates in a wide range of synthetic reactions, including amidation, esterification, and metal-catalyzed cross-coupling reactions. Its presence enables the introduction of the benzoic acid group into complex molecules, allowing for further derivatization and functionalization. Additionally, the 2-aminopyrimidine moiety provides a valuable site for further modification, making this compound valuable in drug discovery and development efforts. In summary, 3-(2-Aminopyrimidin-5-yl)benzoic acid plays a crucial role in the construction of diverse chemical architectures and holds promise for applications in medicinal chemistry, materials science, and other fields of chemical research.