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:	1592
	Name:	5-ethyl-4,6-dihydroxy-5-[(2S)-pentan-2-yl]-2,5-dihydropyrimidin-2-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentobarbital
	Labels:
	CAS:	57-33-0
	InChi Code:	InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m0/s1

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
3.7	experimental value
3.978	Tab2.Model_1: P. promelas LC50 (Training set)