N-(2-{2-[2-(furan-2-yl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)-3-methylpyridin-4-amine

• ChemBase ID: 620248
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: c1(n(ccn1)CCNc1c(cncc1)C)c1cnc(nc1)c1occc1
• Canonical SMILES: Cc1cnccc1NCCn1ccnc1c1cnc(nc1)c1ccco1
• InChI: InChI=1S/C19H18N6O/c1-14-11-20-5-4-16(14)21-6-8-25-9-7-22-19(25)15-12-23-18(24-13-15)17-3-2-10-26-17/h2-5,7,9-13H,6,8H2,1H3,(H,20,21)
• InChIKey: AYAGJQUFQQQYNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{2-[2-(furan-2-yl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)-3-methylpyridin-4-amine
• IUPAC Traditional name: N-(2-{2-[2-(furan-2-yl)pyrimidin-5-yl]imidazol-1-yl}ethyl)-3-methylpyridin-4-amine
• Synonyms: N-(2-{2-[2-(2-furyl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)-3-methylpyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.81275564
• LogD (pH = 7.4): 1.2375423
• Log P: 2.2020419
• Molar Refractivity: 120.6445 cm^3
• Polarizability: 37.98301 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.72
• LOG S: -3.19
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 6