2,4-dimethoxy-6-[2-(2-methylpropyl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-1,3,5-triazine

• ChemBase ID: 376082
• Molecular Formular: C15H20N6O2
• Molecular Mass: 316.3583
• Monoisotopic Mass: 316.16477391
• SMILES: c1(nc(nc(n1)OC)OC)N1Cc2c(nc(nc2)CC(C)C)C1
• Canonical SMILES: COc1nc(nc(n1)OC)N1Cc2c(C1)nc(nc2)CC(C)C
• InChI: InChI=1S/C15H20N6O2/c1-9(2)5-12-16-6-10-7-21(8-11(10)17-12)13-18-14(22-3)20-15(19-13)23-4/h6,9H,5,7-8H2,1-4H3
• InChIKey: TWLIZLUNBMUICH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-6-[2-(2-methylpropyl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-1,3,5-triazine
• IUPAC Traditional name: 2,4-dimethoxy-6-[2-(2-methylpropyl)-5H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]-1,3,5-triazine
• Synonyms: 6-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-isobutyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 3.046125
• LogD (pH = 7.4): 3.0462315
• Log P: 3.046233
• Molar Refractivity: 87.4248 cm^3
• Polarizability: 31.937809 Å^3
• Polar Surface Area: 86.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.04
• LOG S: -2.78
• Polar Surface Area: 86.15 Å^2
• Rotatable Bonds: 5