5-Ethyl-5-phenyl-1,3-di(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
16846-63-2- Standard SMILES
C=CCN1C(=O)N(CC=C)C(=O)C(CC)(c2ccccc2)C1=O- InChIKey
YFLJPNVUFFTRPL-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1473925
Names & identifiers
- Preferred name
- 5-Ethyl-5-phenyl-1,3-di(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-ethyl-5-phenyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Diallyl-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
- Molecular formula
- C18H20N2O3
- Molecular weight
- 312.36
Names & synonyms
16846-63-2DTXSID909374975-Ethyl-5-phenyl-1,3-di(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trioneRefChem:1072904DTXCID5013660601,3-Diallyl-5-ethyl-5-phenylbarbituric acidN,N'-DiallylphenobarbitalBRN 03068175-ethyl-5-phenyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trioneBARBITURIC ACID, 1,3-DIALLYL-5-ETHYL-5-PHENYL-1,3-Diallyl-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1,3-di-2-propen-1-yl-
Database identifiers
- CAS
16846-63-2- PubChem CID
- 28108
- DTXSID
DTXSID90937497- Nikkaji
- J54.747F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Melting point
- 40 °C · 40 °C(Solv: methanol (67-56-1))
- Boiling point
- 421.7 · 421.7±55.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- pka
- -2.65 · -2.65±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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