chempirical

Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate

C6H6N2O4CAS 6153-44-2170.12 g/mol

Open in Covalent MOL file
OOOHNOHN
EsterPhenol

Properties

Molecular formula
C6H6N2O4
Molar mass
170.12 g/mol
Exact mass
170.0328 Da
Melting point
249 °C
logP
-0.33Crippen estimate
Polar surface area
92.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
6153-44-2
SMILES
COC(=O)c1cc(O)nc(O)n1
InChIKey
UUTDWTOZAWFKFW-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H,1H3,(H2,7,8,9,11)

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Names and synonyms

7 names
  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester
  • Orotic acid, methyl ester
  • 6-Carbomethoxyuracil
  • Methyl orotate
  • NSC 42009
  • Methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
  • 6-(Methoxycarbonyl)uracil

Work with Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate

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

Orotic acid65-86-156 % similar Orotic acid monohydrate50887-69-951 % similar Potassium orotate24598-73-050 % similar Lithium orotate5266-20-650 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-847 % similar Methyl 5-hydroxy-2-pyridinecarboxylate30766-12-244 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-044 % similar Dimethyl 5-hydroxyisophthalate13036-02-742 % similar

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

Same formula

1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-2

Elsewhere

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