2-(furan-2-yl)-5-[1-(2-methoxypyridin-3-yl)-1H-imidazol-2-yl]pyrimidine

• ChemBase ID: 608982
• Molecular Formular: C17H13N5O2
• Molecular Mass: 319.31742
• Monoisotopic Mass: 319.10692468
• SMILES: n1(c(c2cnc(nc2)c2occc2)ncc1)c1c(nccc1)OC
• Canonical SMILES: COc1ncccc1n1ccnc1c1cnc(nc1)c1ccco1
• InChI: InChI=1S/C17H13N5O2/c1-23-17-13(4-2-6-19-17)22-8-7-18-16(22)12-10-20-15(21-11-12)14-5-3-9-24-14/h2-11H,1H3
• InChIKey: ULWAVPVSLOXGIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-5-[1-(2-methoxypyridin-3-yl)-1H-imidazol-2-yl]pyrimidine
• IUPAC Traditional name: 2-(furan-2-yl)-5-[1-(2-methoxypyridin-3-yl)imidazol-2-yl]pyrimidine
• Synonyms: 2-(2-furyl)-5-[1-(2-methoxypyridin-3-yl)-1H-imidazol-2-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.211018
• LogD (pH = 7.4): 2.428976
• Log P: 2.4327614
• Molar Refractivity: 118.1941 cm^3
• Polarizability: 34.687206 Å^3
• Polar Surface Area: 78.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.42
• LOG S: -3.6
• Polar Surface Area: 78.86 Å^2
• Rotatable Bonds: 4