2-(2-aminoethyl)-N-[1-(3-methylpyridin-2-yl)propyl]quinazolin-4-amine

• ChemBase ID: 866214
• Molecular Formular: C19H23N5
• Molecular Mass: 321.41942
• Monoisotopic Mass: 321.19534576
• SMILES: c1(nc(nc2c1cccc2)CCN)NC(c1ncccc1C)CC
• Canonical SMILES: NCCc1nc(NC(c2ncccc2C)CC)c2c(n1)cccc2
• InChI: InChI=1S/C19H23N5/c1-3-15(18-13(2)7-6-12-21-18)23-19-14-8-4-5-9-16(14)22-17(24-19)10-11-20/h4-9,12,15H,3,10-11,20H2,1-2H3,(H,22,23,24)
• InChIKey: XTMNLAQARBRFPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-[1-(3-methylpyridin-2-yl)propyl]quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-[1-(3-methylpyridin-2-yl)propyl]quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-[1-(3-methylpyridin-2-yl)propyl]quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.927105
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.41896862
• LogD (pH = 7.4): 1.5758221
• Log P: 3.575677
• Molar Refractivity: 97.9839 cm^3
• Polarizability: 38.34789 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: 2.41
• LOG S: -1.3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 6