chempirical

5-Acetyl-2,4(1H,3H)-pyrimidinedione

C6H6N2O3CAS 6214-65-9154.13 g/mol

Open in Covalent MOL file
ONOHNHO
KetonePhenol

Properties

Molecular formula
C6H6N2O3
Molar mass
154.13 g/mol
Exact mass
154.0378 Da
Melting point
294 °C (decomposes)
logP
0.09Crippen estimate
Polar surface area
83.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Identifiers

CAS number
6214-65-9
SMILES
CC(=O)c1cnc(O)nc1O
InChIKey
YNYDWEIQSDFDLK-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3/c1-3(9)4-2-7-6(11)8-5(4)10/h2H,1H3,(H2,7,8,10,11)

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Names and synonyms

6 names
  • 2,4(1H,3H)-Pyrimidinedione, 5-acetyl-
  • Uracil, 5-acetyl-
  • 5-Acetouracil
  • 5-Acetyluracil
  • NSC 34716
  • 1-(2,4-Dihydroxy-pyrimidin-5-yl)-ethanone

Work with 5-Acetyl-2,4(1H,3H)-pyrimidinedione

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

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-062 % similar Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-855 % similar Thymine65-71-447 % similar 5-Hydroxy-2,4(1H,3H)-pyrimidinedione20636-41-345 % similar 5-Formyluracil1195-08-043 % similar 5-Ethyl-2,4(1H,3H)-pyrimidinedione4212-49-143 % similar 5-(Trifluoromethyl)uracil54-20-643 % similar 5-Methoxyuracil6623-81-043 % similar

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

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 3-Hydroxy-6-methyl-2-nitropyridine15128-90-2 3-Methoxy-2-nitropyridine20265-37-6 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-8 4-Methyl-5-nitro-2(1H)-pyridinone21901-41-7

Elsewhere

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