5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinazolin-4-amine

• ChemBase ID: 546943
• Molecular Formular: C15H19FN4
• Molecular Mass: 274.3365632
• Monoisotopic Mass: 274.15937485
• SMILES: c12c(ncnc2cccc1F)NCCC1N(CCC1)C
• Canonical SMILES: CN1CCCC1CCNc1ncnc2c1c(F)ccc2
• InChI: InChI=1S/C15H19FN4/c1-20-9-3-4-11(20)7-8-17-15-14-12(16)5-2-6-13(14)18-10-19-15/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,18,19)
• InChIKey: LTVCPQFLCRTUAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinazolin-4-amine
• IUPAC Traditional name: 5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinazolin-4-amine
• Synonyms: 5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.63036
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2433249
• LogD (pH = 7.4): 0.10760645
• Log P: 2.179169
• Molar Refractivity: 79.6199 cm^3
• Polarizability: 30.524782 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.5
• LOG S: -2.71
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 4