Barbituric acid, 5-benzyl-5-isopropenyl-
Basic information
- CAS
66942-00-5- Standard SMILES
C=C(C)C1(Cc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
BYRVWKNKWRRGJY-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- Barbituric acid, 5-benzyl-5-isopropenyl-
- IUPAC
- 5-benzyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Benzyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C14H14N2O3
- Molecular weight
- 258.27
Names & synonyms
BARBITURIC ACID, 5-BENZYL-5-ISOPROPENYL-5-Benzyl-5-isopropenylbarbituric acidBRN 024321566942-00-5DTXSID802171394-24-00-02110 (Beilstein Handbook Reference)NSC 125814RefChem:116477DTXCID301396305-benzyl-5-(prop-1-en-2-yl)-1,3-diazinane-2,4,6-trioneNSC125814NSC-125814
Show more names
5-Benzyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethenyl)-5-(phenylmethyl)-
2,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethenyl)-5-(phenylmethyl)-
Database identifiers
- CAS
66942-00-5- PubChem CID
- 48582
- DTXSID
DTXSID80217139- Nikkaji
- J93.481J
Properties
Computed structural properties
- XLogP
- 2.1
- 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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