1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-8-(2-methylpropyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

• ChemBase ID: 218852
• Molecular Formular: C17H23N5O2
• Molecular Mass: 329.39682
• Monoisotopic Mass: 329.185175
• SMILES: c12c(nc3n1cc(n3CC(C)C)C)n(c(=O)n(c2=O)CC(=C)C)C
• Canonical SMILES: CC(Cn1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C)C
• InChI: InChI=1S/C17H23N5O2/c1-10(2)7-20-12(5)9-21-13-14(18-16(20)21)19(6)17(24)22(15(13)23)8-11(3)4/h9-10H,3,7-8H2,1-2,4-6H3
• InChIKey: SZUWTCILVRVEGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-8-(2-methylpropyl)-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
• IUPAC Traditional name: 1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-8-(2-methylpropyl)imidazo[1,2-g]purine-2,4-dione

Database IDs

• PubChem SID: 164274762
• PubChem CID: 16231656

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7839974
• LogD (pH = 7.4): 1.7839999
• Log P: 1.784
• Molar Refractivity: 104.4158 cm^3
• Polarizability: 34.192383 Å^3
• Polar Surface Area: 62.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds