Basic information
- CAS
18009-29-5- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(CN2CCOCC2)C1=O- InChIKey
FOEQHWOACOYFPK-UHFFFAOYSA-N- Molecular formula
- C17H21N3O4
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.15320616
Names & identifiers
- Preferred name
- 5-Ethyl-6-hydroxy-3-((morpholin-4-yl)methyl)-5-phenylpyrimidine-2,4(3H,5H)-dione
- IUPAC
- 5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-1-(morpholinomethyl)-5-phenylbarbituric acid
- Molecular formula
- C17H21N3O4
- Molecular weight
- 331.37
Names & synonyms
DTXSID309392985-Ethyl-6-hydroxy-3-((morpholin-4-yl)methyl)-5-phenylpyrimidine-2,4(3H,5H)-dione5-Ethyl-6-hydroxy-3-[(morpholin-4-yl)methyl]-5-phenylpyrimidine-2,4(3H,5H)-dioneRefChem:1072906DTXCID5013677991-Morpholinomethylphenobarbital18009-29-5Barbituric acid, 5-ethyl-1-(morpholinomethyl)-5-phenyl-1-(Morpholinomethyl)phenobarbital alcoholate5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione5-Ethyl-1-(morpholinomethyl)-5-phenylbarbituric acidNSC197069
Show more names
5-Ethyl-1-morpholin-4-ylmethyl-5-phenyl-pyrimidine-2,4,6-trione
5-Ethyl-1-(morpholinomethyl)-5-phenylbarbituric acid ethanolate2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-(4-morpholinylmethyl)-5-phenyl-Oprea1_677890SCHEMBL11882626Barbituric acid, 5-ethyl-1-(morpholinomethyl)-5-phenyl-, ethanolateNSC 197069NSC-197069DS-006443
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 8.76 · 8.76±0.10(Predicted)
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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