Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C₁₄H₁₅ClN₂O₃CAS 5948-71-0294.74 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ester Urea

Properties

Molecular formula: C₁₄H₁₅ClN₂O₃
Molar mass: 294.74 g/mol
Exact mass: 294.0771 Da
logP: 2.53Crippen estimate
Polar surface area: 67.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

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

5948-71-0

SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)C

InChIKey

JYWSCUFVWRZFDR-UHFFFAOYSA-N

InChI

InChI=1S/C14H15ClN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,12H,3H2,1-2H3,(H2,16,17,19)

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Names and synonyms

1 names

4-(4-Chloro-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester

Work with Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-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

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

Elsewhere

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