Basic information
- CAS
401648-34-8- Standard SMILES
CCCC1=C(C(=O)OCC)C(c2ccccc2)NC(=O)N1- InChIKey
CDNKFSNDBNWQLC-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
Names & identifiers
- Preferred name
- ethyl 2-oxo-4-phenyl-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-oxo-4-phenyl-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- 5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-2-oxo-4-phenyl-6-propyl-,ethylester(9CI)
- Molecular formula
- C16H20N2O3
- Molecular weight
- 288.34
Names & synonyms
401648-34-85-pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-2-oxo-4-phenyl-6-propyl-,ethyl ester5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2-oxo-4-phenyl-6-propyl-, ethyl ester5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-2-oxo-4-phenyl-6-propyl-,ethylester(9CI)
Database identifiers
- CAS
401648-34-8- Nikkaji
- J2.212.069G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Melting point
- 162 · 162-165 °C(Solv: dichloromethane (75-09-2))
- Boiling point
- 412.4 · 412.4±45.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- pka
- 11.34 · 11.34±0.70(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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