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: | 63 | |
|---|---|---|
| Name: | 4,6-dimethyl-N-phenylpyrimidin-2-amine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pyrimethanil | |
| Labels: | ||
| CAS: | 53112-28-0 | |
| InChi Code: | InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) |
Properties
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.84 |
experimental value |
| 4.5896 |
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 |
|---|---|
| 4.28 |
experimental value |
| 4.0321 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8034877 | US EPA CompTox Dashboard |