chempirical

2-Methyl-4,6-pyrimidinedione

C5H6N2O2CAS 40497-30-1126.11 g/mol

Open in Covalent MOL file
NOOHN
Imine

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
Melting point
46–48 °C
logP
0.29Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
40497-30-1
SMILES
CC1=NC(=O)CC(O)=N1
InChIKey
GNVCKXIBBIIFPE-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9)

Weigh it out

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

Names and synonyms

4 names
  • 4,6(1H,5H)-Pyrimidinedione, 2-methyl-
  • 2-Methyl-4,6(1H,5H)-pyrimidinedione
  • 2-Methylpyrimidin-4,6(3H,5H)-dione
  • 2-Methyl-1H-pyrimidine-4,6-dione

Work with 2-Methyl-4,6-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

Barbituric acid67-52-743 % similar 1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2565-47-140 % similar Glutarimide1121-89-739 % similar 4,4-Dimethyl-2,6-piperidinedione1123-40-638 % similar N-Methylacetoacetamide20306-75-636 % similar 1-Methylhydantoin616-04-635 % similar Bemegride64-65-334 % similar Azaspirodecanedione1075-89-433 % similar

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

Same formula

1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9 1,2-Dihydro-1-methyl-3,6-pyridazinedione5436-01-1 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-7 1-Methyluracil615-77-0 6-Methyluracil626-48-2

Elsewhere

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