2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-
Basic information
- CAS
55045-04-0- Standard SMILES
C=CCC1(CC(C)C)C(=O)N(C)C(=O)N(C)C1=O- InChIKey
GDEXVBXMOVNKKD-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-
- IUPAC
- 1,3-dimethyl-5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H20N2O3
- Molecular weight
- 252.31
Names & synonyms
55045-04-02,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-1,3-Dimethyl derivative of ButalbitalN,N'-DimethylbutalbitalAllylbarbital, 1,3-dimethylDTXSID40340553GDEXVBXMOVNKKD-UHFFFAOYSA-N1,3-dimethyl-5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione1,3-Dimethyl-5-(2-methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione1,3-dimethyl-5-(2-methylpropyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trioneDB-3010615-Allyl-5-isobutyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(2-methylpropyl)-5-(2-propen-1-yl)-
Database identifiers
- CAS
55045-04-0- PubChem CID
- 565625
- DTXSID
DTXSID40340553- Nikkaji
- J103.532K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 317.8 · 317.8±25.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- pka
- -2.18 · -2.18±0.40(Predicted)
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