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: | 62 | |
|---|---|---|
| Name: | 4,6-dimethoxy-1,2-dihydropyrimidin-2-imine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-amino-4,6-dimethoxypyrimidine | |
| Labels: | ||
| CAS: | 36315-01-2 | |
| InChi Code: | InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9) |
Properties
M21.pEC50: 72-h Algal toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.11 |
experimental value |
| 3.3747 |
Tab2.Model_21: (B)TAZ P. subcapitata EC50 (Training set) |
M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.19 |
experimental value |
| 3.2624 |
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 |
|---|---|
| 3.2 |
experimental value |
| 3.2066 |
Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set) |