Molecule ID: 66541

IUPAC Name: 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione

Description: The molecule is a pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. It has a role as an antineoplastic agent, a toxin, a Wnt signalling inhibitor, an apoptosis inducer, a bacterial metabolite, an antibacterial agent and a virulence factor. It is a pyrimidotriazine and a carbonyl compound. It derives from a reumycin.

SMILES: Cn1ncnc2c(=O)n(C)c(=O)nc1-2

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

InChI: InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3

Molecular Properties:
- Polar Surface Area: 77.7 Ų
- LogP: -0.7