3,8-bis(2-methoxyethyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

• ChemBase ID: 221275
• Molecular Formular: C14H21N5O4
• Molecular Mass: 323.34764
• Monoisotopic Mass: 323.15935418
• SMILES: c12c(n3c(n1)N(CC3)CCOC)c(=O)n(c(=O)n2C)CCOC
• Canonical SMILES: COCCN1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCOC
• InChI: InChI=1S/C14H21N5O4/c1-16-11-10(12(20)19(14(16)21)7-9-23-3)18-5-4-17(6-8-22-2)13(18)15-11/h4-9H2,1-3H3
• InChIKey: KBIUSOYPRRQRFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,8-bis(2-methoxyethyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
• IUPAC Traditional name: 3,8-bis(2-methoxyethyl)-1-methyl-6H,7H-imidazo[1,2-g]purine-2,4-dione

Database IDs

• PubChem SID: 164277185
• PubChem CID: 42109052

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.018827917
• LogD (pH = 7.4): -0.018827692
• Log P: -0.018827688
• Molar Refractivity: 83.8511 cm^3
• Polarizability: 30.753216 Å^3
• Polar Surface Area: 80.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds