1-(Pyrimidin-2-yl)ethan-1-one

C₆H₆N₂OCAS 53342-27-1122.13 g/mol

Open in Covalent MOL file

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

53342-27-1

SMILES

CC(=O)C1=NC=CC=N1

InChIKey

SPZUXKZZYDALEY-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Ethanone,1-(2-pyrimidinyl)-

Work with 1-(Pyrimidin-2-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

2-Acetylpyridine1122-62-954 % similar 1-(5-Bromopyrimidin-2-yl)ethanone1189169-37-654 % similar Methyl 2-pyrimidinecarboxylate34253-03-748 % similar Pyrimidine-2-carboxylic acid31519-62-748 % similar 3-Acetyl-2-chloropyridine55676-21-647 % similar 1-(2-Aminopyridin-3-yl)ethan-1-one65326-33-247 % similar 2-Acetyl-3-fluoropyridine87674-20-247 % similar 2-Acetyl-3-methylpyrazine23787-80-643 % similar

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

Same formula

1-(Pyrimidin-5-yl)ethan-1-one10325-70-9 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-Aminonicotinaldehyde42373-30-8

Elsewhere

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