4-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-3-methylpyridine

• ChemBase ID: 605210
• Molecular Formular: C15H17N3O
• Molecular Mass: 255.31498
• Monoisotopic Mass: 255.13716218
• SMILES: c12c(c(nc(n1)C)C)CC(O2)Cc1c(cncc1)C
• Canonical SMILES: Cc1nc2OC(Cc2c(n1)C)Cc1ccncc1C
• InChI: InChI=1S/C15H17N3O/c1-9-8-16-5-4-12(9)6-13-7-14-10(2)17-11(3)18-15(14)19-13/h4-5,8,13H,6-7H2,1-3H3
• InChIKey: JGEVFHFIGWPOJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-3-methylpyridine
• IUPAC Traditional name: 4-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-3-methylpyridine
• Synonyms: 2,4-dimethyl-6-[(3-methylpyridin-4-yl)methyl]-5,6-dihydrofuro[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0562239
• LogD (pH = 7.4): 2.53166
• Log P: 2.5445197
• Molar Refractivity: 73.9466 cm^3
• Polarizability: 27.84359 Å^3
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.17
• LOG S: -1.62
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 2