Molecule ID: 2481

IUPAC Name: 5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Description: The molecule is a member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by an allyl group and an isobutyl group. Frequently combined with other medicines, such as aspirin, paracetamol and codeine, it is used for treatment of pain and headache. It has a role as a sedative and an analgesic. It derives from a barbituric acid.

SMILES: C=CCC1(CC(C)C)C(O)=NC(=O)N=C1O

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

InChI: InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)

Molecular Properties:
- Polar Surface Area: 75.3 Ų
- LogP: 1.7