chempirical

Methyl 4-hydroxypyrimidine-5-carboxylate

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

4 names
  • Methyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate
  • 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 4-hydroxypyrimidine-5-carboxylate

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 pyrimidine-5-carboxylate34253-01-553 % similar Methyl 5-hydroxypyridine-3-carboxylate30766-22-451 % similar Methyl 5-hydroxypyridine-2-carboxylate30766-12-248 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-347 % similar Methyl 4-aminopyridine-3-carboxylate16135-36-746 % similar Dimethyl 4-hydroxyphthalate22479-95-446 % similar Pyrimidine-4-carboxylic acid methyl ester2450-08-046 % similar Tetramethyl pyromellitate635-10-945 % 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 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

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