8-(dimethylamino)-1,3-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione

• ChemBase ID: 181987
• Molecular Formular: C14H15N5O2
• Molecular Mass: 285.3012
• Monoisotopic Mass: 285.12257475
• SMILES: n1(c2c(c(=O)n(c1=O)C)nc1c(n2)cc(N(C)C)cc1)C
• Canonical SMILES: CN(c1ccc2c(c1)nc1c(n2)c(=O)n(c(=O)n1C)C)C
• InChI: InChI=1S/C14H15N5O2/c1-17(2)8-5-6-9-10(7-8)16-12-11(15-9)13(20)19(4)14(21)18(12)3/h5-7H,1-4H3
• InChIKey: MTJLYAFFHYBWPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(dimethylamino)-1,3-dimethyl-1H,2H,3H,4H-benzo[g]pteridine-2,4-dione
• IUPAC Traditional name: 8-(dimethylamino)-1,3-dimethylbenzo[g]pteridine-2,4-dione

Database IDs

• PubChem SID: 164237897
• PubChem CID: 927868

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2443379
• LogD (pH = 7.4): 1.2488166
• Log P: 1.248874
• Molar Refractivity: 77.5512 cm^3
• Polarizability: 29.719206 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds