chempirical

1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione

C5H6N2O3CAS 2565-47-1142.11 g/mol

Open in Covalent MOL file
NOONHO
AmideLactam

Properties

Molecular formula
C5H6N2O3
Molar mass
142.11 g/mol
Exact mass
142.0378 Da
Melting point
132 °C
logP
-0.07Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
2565-47-1
SMILES
CN1C(=O)CC(O)=NC1=O
InChIKey
DCGGMHIZEAHUJL-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)

Weigh it out

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

Names and synonyms

10 names
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-
  • Barbituric acid, 1-methyl-
  • 1-Methylbarbituric acid
  • 3-Methylbarbituric acid
  • N-Methylbarbituric acid
  • 1-Methylpyrimidine-2,4,6(1H,3H,5H)-trione
  • NSC 81440
  • 1-Methyl-2,4,6-trioxo-hexahydro-pyrimidine
  • 1-Methyl-pyrimidine-2,4,6-trione
  • 1-Methyl-1,3-diazinane-2,4,6-trione

Work with 1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione

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-Methylhydantoin616-04-648 % similar Barbituric acid67-52-743 % similar Dimethylbarbituric acid769-42-642 % similar 2-Methyl-4,6-pyrimidinedione40497-30-140 % similar 1-Aminohydantoin6301-02-640 % similar 1-Aminohydantoin hydrochloride2827-56-737 % similar N-Methylsuccinimide1121-07-937 % similar (4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylic acid103365-69-133 % similar

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

Same formula

3,5-Dimethyl-4-nitroisoxazole1123-49-5 Ethyl cyanohydroxyiminoacetate3849-21-6 5-(Hydroxymethyl)uracil4433-40-3 5-Methoxyuracil6623-81-0

Elsewhere

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