Basic information
- CAS
193623-12-0- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)N(C=O)C1c1ccccc1- InChIKey
OCDYWBIASPWQFH-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4
- Average molar mass
- 288.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-formyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 3-formyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
- English name
- Ethyl 3-formyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- Molecular formula
- C15H16N2O4
- Molecular weight
- 288.3
Names & synonyms
193623-12-0ethyl 3-formyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylateethyl 3-formyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateMFCD00592271ethyl 3-formyl-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylateOprea1_352406Oprea1_537933CBDivE_015369AKOS000532950AKOS016339919CS-0299210ST50003471
Show more names
5-Pyrimidinecarboxylic acid, 1-formyl-1,2,3,6-tetrahydro-4-methyl-2-oxo-6-phenyl-, ethyl ester
AB00078801-01AG-219/0946704611R-0224Z56758613ethyl 1-formyl-4-methyl-2-oxo-6-phenyl-1,3,6-trihydropyrimidine-5-carboxylateethyl3-formyl-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Database identifiers
- CAS
193623-12-0- Nikkaji
- J869.863E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Melting point
- 222 °C · 222 °C(Solv: dichloromethane (75-09-2))
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 9.87 · 9.87±0.70(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
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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