5-{[2-(allyloxy)-3-methoxyphenyl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
338794-85-7- Standard SMILES
C=CCOc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cccc1OC- InChIKey
LHJFYMABUSANLM-UHFFFAOYSA-N- Molecular formula
- C17H18N2O5
- Average molar mass
- 330.33 g/mol
Names & identifiers
- Preferred name
- 5-{[2-(allyloxy)-3-methoxyphenyl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-([2-(Allyloxy)-3-methoxyphenyl]methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C17H18N2O5
- Molecular weight
- 330.34
Names & synonyms
338794-85-75-{[2-(allyloxy)-3-methoxyphenyl]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione5-{[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trioneMFCD002447865-[(3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trioneAKOS0050971636H-9205-[(2-allyloxy-3-methoxy-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione5-([2-(Allyloxy)-3-methoxyphenyl]methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[3-methoxy-2-(2-propen-1-yloxy)phenyl]methylene]-1,3-dimethyl-
Database identifiers
- CAS
338794-85-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Boiling point
- 461.2 · 461.2±55.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- -2.25 · -2.25±0.20(Predicted)
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