Basic information
- CAS
67051-29-0- Standard SMILES
C=C(C)C1(CCC(C)C)C(=O)NC(=O)NC1=O- InChIKey
VCNTXICMHSRAQW-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-isopentyl-5-isopropenyl-
- IUPAC
- 5-(3-methylbutyl)-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Isopentyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
BARBITURIC ACID, 5-ISOPENTYL-5-ISOPROPENYL-67051-29-05-Isopentyl-5-isopropenylbarbituric acidBRN 0225316NSC125792DTXSID402173575-(3-methylbutyl)-5-(prop-1-en-2-yl)-1,3-diazinane-2,4,6-trioneNSC 125792NSC-1257922,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methylbutyl)-5-(1-methylethenyl)-5-Isopentyl-5-isopropenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
67051-29-0- PubChem CID
- 49299
- DTXSID
DTXSID40217357- Nikkaji
- J105.686G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
LogP1.95
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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