chempirical

Ethyl 2-amino-1,4-dihydro-4-oxo-5-pyrimidinecarboxylate

C7H9N3O3CAS 15400-53-0183.17 g/mol

Open in Covalent MOL file
OONHNHNHO
EsterPhenol

Properties

Molecular formula
C7H9N3O3
Molar mass
183.17 g/mol
Exact mass
183.0644 Da
Melting point
285 °C
logP
-0.23Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Identifiers

CAS number
15400-53-0
SMILES
CCOC(=O)c1c[nH]c(=N)nc1O
InChIKey
HRRHGLKNOJHIGY-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11)

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Names and synonyms

5 names
  • 5-Pyrimidinecarboxylic acid, 2-amino-1,4-dihydro-4-oxo-, ethyl ester
  • 5-Pyrimidinecarboxylic acid, 2-amino-4-hydroxy-, ethyl ester
  • 2-Amino-4-hydroxy-5-pyrimidine carbonic acid ethyl ester
  • 2-Amino-4-hydroxypyrimidine-5-carboxylic acid ethyl ester
  • Ethyl 2-amino-6-oxo-1,6-dihydropyrimidine-5-carboxylate

Work with Ethyl 2-amino-1,4-dihydro-4-oxo-5-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

Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate149771-09-567 % similar Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-854 % similar Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate38026-46-952 % similar Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate53554-29-350 % similar Ethyl 3-amino-1H-pyrazole-4-carboxylate6994-25-848 % similar Ethyl salicylate118-61-647 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-247 % similar Ethyl indole-3-carboxylate776-41-046 % similar

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

Same formula

5-Formamide-1-(2-formyloxyethl)pyrazole116856-18-9 6-Methoxy-N-methyl-3-nitro-2-pyridinamine94166-58-2

Elsewhere

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