N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 753074
• Molecular Formular: C16H24N4O
• Molecular Mass: 288.38796
• Monoisotopic Mass: 288.19501141
• SMILES: n12c(nc(cc1NCCC1COCCC1)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCCC2CCCOC2)n2c(n1)ccn2
• InChI: InChI=1S/C16H24N4O/c1-2-4-14-11-16(20-15(19-14)7-9-18-20)17-8-6-13-5-3-10-21-12-13/h7,9,11,13,17H,2-6,8,10,12H2,1H3
• InChIKey: AABNDCCLTVIOEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(oxan-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-propyl-N-[2-(tetrahydro-2H-pyran-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3578227
• LogD (pH = 7.4): 2.3578713
• Log P: 2.357872
• Molar Refractivity: 94.9346 cm^3
• Polarizability: 31.821741 Å^3
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.93
• LOG S: -3.81
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 6