Ethyl (4S)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Basic information
- CAS
193623-14-2- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccccc1- InChIKey
FMBPKHVACPZMOG-AWEZNQCLSA-N- Molecular formula
- C16H18N2O4
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.12665706
Names & identifiers
- Preferred name
- Ethyl (4S)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl (4S)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
- English name
- Ethyl 3-acetyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- Molecular formula
- C16H18N2O4
- Molecular weight
- 302.33
Names & synonyms
193623-14-2Ethyl (4S)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylateethyl (4S)-3-acetyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylateDTXSID70351253AKOS030241702(S)-Ethyl3-acetyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylateTOSLAB 739861AURORA KA-3506Ethyl 3-acetyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate5-Pyrimidinecarboxylic acid, 1-acetyl-1,2,3,6-tetrahydro-4-methyl-2-oxo-6-phenyl-, ethyl ester
Database identifiers
- CAS
193623-14-2- PubChem CID
- 694803
- DTXSID
DTXSID70351253
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 142 · 142-143 °C
- Density
- 1.215 · 1.215±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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