Ethyl pyrimidine-4-carboxylate

C₇H₈N₂O₂CAS 62846-82-6152.15 g/mol

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Properties

Molecular formula: C₇H₈N₂O₂
Molar mass: 152.15 g/mol
Exact mass: 152.0586 Da
logP: 0.65Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

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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-Dimethylpyrimidine-5-carboxylic 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

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