Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 55 | |
|---|---|---|
| Name: | 6-methyl-2-(propan-2-yl)pyrimidin-4-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Isopropyl-6-methyl-4-pyrimidone | |
| Labels: | ||
| CAS: | 2814-20-2 | |
| InChi Code: | InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.18 |
experimental value |
| 4.1929 |
Tab2.Model_22: (B)TAZ D.magna EC50 (Training set) |
M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.18 |
experimental value |
| 3.7123 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |