Molecule ID: 118987300

IUPAC Name: 5-amino-5-methyl-6-(2-oxo-1,3-diazabicyclo[2.2.0]hex-4-en-6-yl)-1,3-diazinane-2,4-dione

Description: The molecule is a member of the class of azabicycloalkanes that is 1,3-diazabicyclo[2.2.0]hex-4-en-2-one substituted at position 6 by a 5-amino-5-methyl-2,4-dioxodihydropyrimidin-6-yl group. It has a role as a Mycoplasma genitalium metabolite. It is a pyrimidone, an aminopyrimidine and an azabicycloalkane.

SMILES: CC1(N)C(O)=NC(O)=NC1C1C=C2N=C(O)N21

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

InChI: InChI=1S/C9H11N5O3/c1-9(10)5(12-7(16)13-6(9)15)3-2-4-11-8(17)14(3)4/h2-3,5H,10H2,1H3,(H,11,17)(H2,12,13,15,16)

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: -2.5