Basic information
- CAS
56383-73-4- Standard SMILES
CC(C)CC1(c2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
VTLDIXMCNYQGMF-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-isobutyl-5-phenyl-
- IUPAC
- 5-(2-methylpropyl)-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Isobutyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
5-Isobutyl-5-phenylbarbituric acid56383-73-4BARBITURIC ACID, 5-ISOBUTYL-5-PHENYL-DTXSID00204945RefChem:320856DTXCID301274365-(2-methylpropyl)-5-phenyl-1,3-diazinane-2,4,6-trione5-Isobutyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneDB-3177152,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-phenyl-
Database identifiers
- CAS
56383-73-4- PubChem CID
- 41857
- DTXSID
DTXSID00204945- Nikkaji
- J105.678F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 7.58 · 7.58±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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