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: | 1826 | |
|---|---|---|
| Name: | 4-chloro-6-methyl-1,2-dihydropyrimidin-2-imine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Amino-4-chloro-6-methylpyrimidine | |
| Labels: | ||
| CAS: | 5600-21-5 | |
| InChi Code: | InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9) |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.01 |
experimental value |
| 2.648 |
Tab2.Model_1: P. promelas LC50 (Training set) |