1-(Pyrimidin-5-yl)ethan-1-one

C₆H₆N₂OCAS 10325-70-9122.13 g/mol

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Properties

Molecular formula: C₆H₆N₂O
Molar mass: 122.13 g/mol
Exact mass: 122.0480 Da
logP: 0.68Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

10325-70-9

SMILES

CC(=O)C1=CN=CN=C1

InChIKey

COTYNDRSENVEFI-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O/c1-5(9)6-2-7-4-8-3-6/h2-4H,1H3

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Names and synonyms

1 names

1-(5-Pyrimidinyl)ethanone

Work with 1-(Pyrimidin-5-yl)ethan-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Acetylpyridine350-03-859 % similar 4-Acetylpyridine1122-54-956 % similar 1,4-Diacetylbenzene1009-61-655 % similar Acetophenone98-86-248 % similar 1-(6-Methyl-3-pyridinyl)ethanone36357-38-747 % similar 5-Pyrimidinecarboxylic acid4595-61-346 % similar 1,3-Diacetylbenzene6781-42-646 % similar P-Methylacetophenone122-00-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(Pyridazin-3-yl)ethan-1-one1122-63-0 Nicotinaldoxime1193-92-6 2-(Ethoxymethylene)propanedinitrile123-06-8 2-Pyridinecarboxamide1452-77-3 Isonicotinamide1453-82-3 Acetylpyrazine22047-25-2 4-Pyridinealdoxime696-54-8 Pyridine 2-aldoxime873-69-8

Elsewhere

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