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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)-

5-Pyrimidinecarbonitrile, 4-amino-2-bromo-

N#Cc1cnc(nc1N)Br Request for Quotation
Chemical Name: 5-Pyrimidinecarbonitrile, 4-amino-2-bromo-
CAS Number: 94741-70-5
Product Number: AG0068HT(AGN-PC-0KK6ZQ)
Synonyms:
MDL No:
Molecular Formula: C5H3BrN4
Molecular Weight: 199.0081

Identification/Properties

Properties
MP:
254 °C (dec.)
BP:
457.658 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
199.011g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
197.954g/mol
Monoisotopic Mass:
197.954g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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


4-Amino-2-bromopyrimidine-5-carbonitrile is a versatile compound widely used in chemical synthesis due to its unique properties. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials. In organic chemistry, it is often employed as a key intermediate in the synthesis of diverse heterocyclic compounds.One of the primary applications of 4-Amino-2-bromopyrimidine-5-carbonitrile is in the pharmaceutical industry, where it is utilized in the development of novel drugs. This compound can be functionalized to introduce different groups or moieties, enabling the synthesis of new drug candidates with enhanced biological activities. Moreover, its structural features make it a crucial precursor for the preparation of biologically active molecules with potential therapeutic applications.In agrochemical research, 4-Amino-2-bromopyrimidine-5-carbonitrile plays a crucial role in the construction of pesticides, herbicides, and fungicides. By incorporating this compound into various chemical formulations, researchers can create effective crop protection products to combat pests and diseases in agriculture. Its reactivity and compatibility with other components make it a valuable tool in formulating environmentally friendly agrochemicals.Furthermore, in material science, the versatile nature of 4-Amino-2-bromopyrimidine-5-carbonitrile enables its use in the synthesis of advanced materials. By utilizing this compound as a building block, scientists can design and fabricate innovative materials with tailored properties such as conductivity, solubility, or optical characteristics. This opens up opportunities for creating functional materials for electronics, coatings, and other industrial applications.