potassium 8-amino-3,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-1-ide

• ChemBase ID: 183932
• Molecular Formular: C12H10KN5O2
• Molecular Mass: 295.3384
• Monoisotopic Mass: 295.04715627
• SMILES: [n-]1c(=O)n(c(=O)c2c1nc1c(n2)cc(c(c1)N)C)C.[K+]
• Canonical SMILES: Cc1cc2nc3c(nc2cc1N)[n-]c(=O)n(c3=O)C.[K+]
• InChI: InChI=1S/C12H11N5O2.K/c1-5-3-7-8(4-6(5)13)15-10-9(14-7)11(18)17(2)12(19)16-10;/h3-4H,1-2H3,(H3,13,15,16,18,19);/q;+1/p-1
• InChIKey: IIQHZDJPMGGELR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 8-amino-3,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-benzo[g]pteridin-1-ide
• IUPAC Traditional name: potassium 8-amino-3,7-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-1-ide

Database IDs

• PubChem SID: 164239842
• PubChem CID: 23709627

CALCULATED PROPERTIES

• Acid pKa: 10.767639
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6110194
• LogD (pH = 7.4): 1.6110796
• Log P: 1.6112595
• Molar Refractivity: 67.1675 cm^3
• Polarizability: 25.68915 Å^3
• Polar Surface Area: 98.41 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: K+
• Classification: Rare Derivatives of Natural Compounds