chempirical

Ethyl pyrimidine-4-carboxylate

C7H8N2O2CAS 62846-82-6152.15 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C7H8N2O2
Molar mass
152.15 g/mol
Exact mass
152.0586 Da
logP
0.65Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

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
62846-82-6
SMILES
CCOC(=O)C1=NC=NC=C1
InChIKey
DWRWSNAREGLUHZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-4-8-5-9-6/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Ethyl 4-pyrimidinecarboxylate

Work with Ethyl pyrimidine-4-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

Ethyl 2-pyridinecarboxylate2524-52-964 % similar Pyrimidine-4-carboxylic acid methyl ester2450-08-063 % similar Ethyl isonicotinate1570-45-260 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-358 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-456 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-356 % similar Ethyl 5-bromopicolinate77199-09-855 % similar Ethyl nicotinate614-18-654 % similar

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

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook