Dimethylbarbituric acid

C6H8N2O3CAS 769-42-6156.14 g/mol

Open in Covalent MOL file
NOONO
AmideLactamUrea

Properties

Molecular formula
C6H8N2O3
Molar mass
156.14 g/mol
Exact mass
156.0535 Da
Melting point
119–121 °C
logP
-0.57Crippen estimate
Polar surface area
57.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
769-42-6
SMILES
CN1C(=O)CC(=O)N(C)C1=O
InChIKey
VVSASNKOFCZVES-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-
  • Barbituric acid, 1,3-dimethyl-
  • 1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • N,N′-Dimethylbarbituric acid
  • 1,3-Dimethylbarbituric acid
  • N,N′-Dimethyl-2,4,6-pyrimidinetrione
  • 6-Hydroxy-1,3-dimethyluracil
  • N,N-Dimethylbarbituric acid
  • NSC 61918
  • 1,3-Dimethyl-1,3-diazacyclohexane-2,4,6-trione
  • N′,N-Dimethylbarbituric acid
  • 1,3-Dimethyl-pyrimidine-2,4,6-trione
  • 1,3-Dimethyl-1,3-diazinane-2,4,6-trione

Work with Dimethylbarbituric acid

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

N-Methylsuccinimide1121-07-950 % similar 1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2565-47-142 % similar 3-Methyl-1,3-thiazolidine-2,4-dione16312-21-339 % similar Sarcosine anhydride5076-82-438 % similar 1,3-Dimethyl-2-imidazolidinone80-73-938 % similar Tetramethylurea632-22-436 % similar Dimethylacetoacetamide2044-64-636 % similar 2-Chloro-N,N-dimethylacetamide2675-89-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-0 Ethyl 2-amino-1,3-oxazole-4-carboxylate177760-52-0 5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester51985-95-6 N-Cyanoacetylethylcarbamate6629-04-5

Elsewhere

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