Basic information
- CAS
329778-25-8- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(CC(C)C)cc1- InChIKey
DEKFRHTXDOCUGI-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-methyl-4-[4-(2-methylpropyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-methyl-4-[4-(2-methylpropyl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- Ethyl 4-(4-isobutylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- Molecular formula
- C18H24N2O3
- Molecular weight
- 316.39
Names & synonyms
329778-25-8ethyl 6-methyl-4-[4-(2-methylpropyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateethyl 4-(4-isobutylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateethyl 6-methyl-4-[4-(2-methylpropyl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateOprea1_194087AKOS005106306JS-1561AA-768/12518009Ethyl 4-(4-isobutylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateethyl6-methyl-4-[4-(2-methylpropyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-[4-(2-methylpropyl)phenyl]-2-oxo-, ethyl ester
Database identifiers
- CAS
329778-25-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Boiling point
- 437 · 437.0±45.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 11.43 · 11.43±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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