1-Methyl-5-phenyl-5-butylbarbituric acid
5-butyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: Pseudotubulosine|MPBB|1-Methyl-5-phenyl-5-butylbarbituric acid|NIOSH/CQ2338000|J2.387.884D|(R)-(-)-5-Butyl-1-methyl-5-phenylbarbituric acid|(5R)-1-Methyl-5-butyl-5-phenylbarbituric acid|5-butyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione|5-butyl-1-methyl-5-phenyl-pyrimidine-2,4,6-trione|Barbituric acid, 5-butyl-1-methyl-5-phenyl-, (R)-(-)-|1-Methyl-5-butyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione|2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-1-methyl-5-phenyl-|2,4,6(1H,3H,5H)-Pyrimidinetrione,5-butyl-1-methyl-5-phenyl-
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13174 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.13174 |
| Monoisotopic Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 64091-31-2 |
|---|---|
| SMILES | CCCCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2 |
| InChIKey | LPJKVDCUVJMVSG-UHFFFAOYSA-N |
Product Overview
1-Methyl-5-phenyl-5-butylbarbituric acid (CAS 64091-31-2), with molecular formula C15H18N2O3 and molecular weight 274.13174 g/mol. IUPAC: 5-butyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.