Basic information
- CAS
67051-53-0- Standard SMILES
C=C(C)CC1(c2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
IVGRRGDBHYPYJK-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 5-(2-Methylprop-2-en-1-yl)-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-(2-methylprop-2-enyl)-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Methyl-2-propenyl)-5-phenylbarbituric acid
- Molecular formula
- C14H14N2O3
- Molecular weight
- 258.27
Names & synonyms
67051-53-0DTXSID902755435-(2-methylprop-2-en-1-yl)-5-phenyl-1,3-diazinane-2,4,6-trione5-(2-Methylprop-2-en-1-yl)-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione5-(2-Methyl-2-propenyl)-5-phenylbarbituric acid5-(2-Methyl-2-propenyl)-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methyl-2-propen-1-yl)-5-phenyl-
Database identifiers
- CAS
67051-53-0- PubChem CID
- 49321
- DTXSID
DTXSID90275543- Nikkaji
- J105.720K
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
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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