5-(2-Propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
2565-43-7- Standard SMILES
C=CCC1C(=O)NC(=O)NC1=O- InChIKey
JLXDSDWQIIJSHV-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 5-(2-Propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-allylbarbituric acid
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
2565-43-7BARBITURIC ACID, 5-ALLYL-DTXSID10180347RefChem:1072410DTXCID201028385-(2-Propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione219-893-55-Allylbarbituric acidDeallylallobarbitone2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-propenyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione5-allylpyrimidine-2,4,6(1H,3H,5H)-trione
Show more names
5-(2-Propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-propen-1-yl)-
5-Allyl-2,4,6-pyrimidinetrione5-prop-2-enyl-1,3-diazinane-2,4,6-trioneEINECS 219-893-5NSC 71205BRN 0006978NSC71205Oprea1_5512975-24-09-00214 (Beilstein Handbook Reference)
Database identifiers
- CAS
2565-43-7- PubChem CID
- 17376
- DTXSID
DTXSID10180347- EC Number
- 219-893-5
- Nikkaji
- J192.069C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- pka
- 1 · pK1: 4.78(+1) (25°C)
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Compound notes
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