| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2006 | 14 | No |
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-methyl-
5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
5,5-Diethyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
5,5-Diethyl-1-methylbarbituric acid
5,5-diethyl-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
5-24-09-00144 (Beilstein Handbook Reference)
50-11-3; D01382; Gemonil (TN); Metharbital (JAN/INN)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.21 | 1.48 | -5.14 | 1 | 5 | 0 | 66 | 198.222 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | -1.08 | -36.85 | 0 | 5 | -1 | 73 | 197.214 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.95e+01 g/l | DrugBank-approved |
