[(4-fluorophenyl)methyl]({imidazo[1,2-a]pyrimidin-6-ylmethyl})(oxolan-2-ylmethyl)amine

• ChemBase ID: 496615
• Molecular Formular: C19H21FN4O
• Molecular Mass: 340.3946432
• Monoisotopic Mass: 340.16993953
• SMILES: c12n(cc(cn1)CN(Cc1ccc(F)cc1)CC1OCCC1)ccn2
• Canonical SMILES: Fc1ccc(cc1)CN(Cc1cnc2n(c1)ccn2)CC1CCCO1
• InChI: InChI=1S/C19H21FN4O/c20-17-5-3-15(4-6-17)11-23(14-18-2-1-9-25-18)12-16-10-22-19-21-7-8-24(19)13-16/h3-8,10,13,18H,1-2,9,11-12,14H2
• InChIKey: ZQSLBUITMSOAKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl]({imidazo[1,2-a]pyrimidin-6-ylmethyl})(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl]({imidazo[1,2-a]pyrimidin-6-ylmethyl})(oxolan-2-ylmethyl)amine
• Synonyms: (4-fluorobenzyl)(imidazo[1,2-a]pyrimidin-6-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.07193136
• LogD (pH = 7.4): 1.6982656
• Log P: 2.0344558
• Molar Refractivity: 96.416 cm^3
• Polarizability: 36.032944 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -2.79
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 6