Molecule ID: 4737

IUPAC Name: 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione

Description: The molecule is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has a role as a GABAA receptor agonist.

SMILES: CCCC(C)C1(CC)C(O)=NC(=O)N=C1O

SELFIES: [C][C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][Branch1][C][O][=N][C][=Branch1][C][=O][N][=C][Ring1][#Branch2][O]

InChI: 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)

Molecular Properties:
- Polar Surface Area: 75.3 Ų
- LogP: 2.1