(furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]{[1-(pyrimidin-2-yl)-1H-pyrrol-2-yl]methyl}amine

• ChemBase ID: 735341
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n1(c(CN(Cc2occc2)CCN2CCOCC2)ccc1)c1ncccn1
• Canonical SMILES: O1CCN(CC1)CCN(Cc1cccn1c1ncccn1)Cc1ccco1
• InChI: InChI=1S/C20H25N5O2/c1-4-18(25(8-1)20-21-6-3-7-22-20)16-24(17-19-5-2-13-27-19)10-9-23-11-14-26-15-12-23/h1-8,13H,9-12,14-17H2
• InChIKey: LUZLXUWVGAPZIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]{[1-(pyrimidin-2-yl)-1H-pyrrol-2-yl]methyl}amine
• IUPAC Traditional name: (furan-2-ylmethyl)[2-(morpholin-4-yl)ethyl]{[1-(pyrimidin-2-yl)pyrrol-2-yl]methyl}amine
• Synonyms: (2-furylmethyl)(2-morpholin-4-ylethyl)[(1-pyrimidin-2-yl-1H-pyrrol-2-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.12818669
• LogD (pH = 7.4): 1.6018373
• Log P: 2.1363018
• Molar Refractivity: 114.938 cm^3
• Polarizability: 40.058784 Å^3
• Polar Surface Area: 59.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.02
• LOG S: -2.59
• Polar Surface Area: 59.56 Å^2
• Rotatable Bonds: 8