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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)-

Ethanone, 1-(5-pyrimidinyl)-

CC(=O)c1cncnc1 Request for Quotation
Chemical Name: Ethanone, 1-(5-pyrimidinyl)-
CAS Number: 10325-70-9
Product Number: AG003D1O(AGN-PC-0JT3KD)
Synonyms:
MDL No: MFCD09038477
Molecular Formula: C6H6N2O
Molecular Weight: 122.1246

Identification/Properties

Properties
MP:
80 - 81 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
122.127g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
122.048g/mol
Monoisotopic Mass:
122.048g/mol
Topological Polar Surface Area:
42.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
108
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-(Pyrimidin-5-yl)ethanone, also known as pyrimidine acetophenone, serves as a versatile building block in chemical synthesis. This compound is utilized in the production of various pharmaceuticals, agrochemicals, and fine chemicals due to its unique structural properties and reactivity. In organic synthesis, 1-(Pyrimidin-5-yl)ethanone can act as a valuable intermediate in the preparation of heterocyclic compounds, which are essential components in drug discovery and development. Its pyrimidine ring provides a diverse platform for further functionalization, allowing for the creation of novel compounds with potential biological activities.Furthermore, the ketone group in 1-(Pyrimidin-5-yl)ethanone can undergo various chemical transformations such as reduction, oxidation, and substitution reactions, enabling the synthesis of a wide range of derivatives with different properties and functionalities. These derivatives can exhibit promising biological activities or serve as key precursors for more complex molecules.Overall, the application of 1-(Pyrimidin-5-yl)ethanone in chemical synthesis offers researchers and chemists a valuable tool for designing and developing new compounds with potential therapeutic, agricultural, or industrial applications.