chempirical

Methyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate

C6H6N2O3CAS 4774-35-0154.13 g/mol

Open in Covalent MOL file
OONNHO
EsterPhenol

Properties

Molecular formula
C6H6N2O3
Molar mass
154.13 g/mol
Exact mass
154.0378 Da
Melting point
209–210 °C
logP
-0.03Crippen estimate
Polar surface area
72.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Identifiers

CAS number
4774-35-0
SMILES
COC(=O)c1cncnc1O
InChIKey
KFWOVXLWAGKILN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3/c1-11-6(10)4-2-7-3-8-5(4)9/h2-3H,1H3,(H,7,8,9)

Weigh it out

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

Names and synonyms

3 names
  • 5-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-, methyl ester
  • 5-Pyrimidinecarboxylic acid, 4-hydroxy-, methyl ester
  • 5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, methyl ester

Work with Methyl 1,6-dihydro-6-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

Methyl 5-hydroxy-2-pyridinecarboxylate30766-12-248 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-347 % similar Dimethyl 4-hydroxyphthalate22479-95-446 % similar Tetramethyl pyromellitate635-10-945 % similar Methyl 2,5-dihydroxybenzoate2150-46-144 % similar Methyl 2,4-dihydroxybenzoate2150-47-244 % similar Methyl salicylate119-36-844 % similar Methyl 2-pyrazinecarboxylate6164-79-044 % similar

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

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 3-Hydroxy-6-methyl-2-nitropyridine15128-90-2 3-Methoxy-2-nitropyridine20265-37-6 3-Methyl-5-nitro-2(1H)-pyridinone21901-34-8 4-Methyl-5-nitro-2(1H)-pyridinone21901-41-7

Elsewhere

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