2-(2-aminoethyl)-N-[1-(4-methylpyridin-2-yl)propyl]quinazolin-4-amine

• ChemBase ID: 481885
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: c1(nc(nc2c1cccc2)CCN)NC(c1nccc(c1)C)CC
• Canonical SMILES: NCCc1nc(NC(c2nccc(c2)C)CC)c2c(n1)cccc2
• InChI: InChI=1S/C19H23N5/c1-3-15(17-12-13(2)9-11-21-17)23-19-14-6-4-5-7-16(14)22-18(24-19)8-10-20/h4-7,9,11-12,15H,3,8,10,20H2,1-2H3,(H,22,23,24)
• InChIKey: FJJHYHYQKWGPLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-[1-(4-methylpyridin-2-yl)propyl]quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-[1-(4-methylpyridin-2-yl)propyl]quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-[1-(4-methylpyridin-2-yl)propyl]quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.941666
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.41301253
• LogD (pH = 7.4): 1.5757444
• Log P: 3.575677
• Molar Refractivity: 97.9839 cm^3
• Polarizability: 38.346012 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.46
• LOG S: -1.34
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 6