Molecule ID: 118987302

IUPAC Name: 6-(4,5-diamino-2-oxo-5,6-dihydro-1H-pyrimidin-6-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one

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 5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl group. It has a role as a Mycoplasma genitalium metabolite. It is an aminopyrimidine, an azabicycloalkane and a pyrimidone.

SMILES: N=C1NC(O)=NC(C2C=C3N=C(O)N32)C1N

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

InChI: InChI=1S/C8H10N6O2/c9-4-5(12-7(15)13-6(4)10)2-1-3-11-8(16)14(2)3/h1-2,4-5H,9H2,(H,11,16)(H3,10,12,13,15)

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: -3.0