N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 469485
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c1(n2c(nc(c1)CCC)ccn2)N[C@@H]1[C@H](COC1)OCC
• Canonical SMILES: CCO[C@H]1COC[C@@H]1Nc1cc(CCC)nc2n1ncc2
• InChI: InChI=1S/C15H22N4O2/c1-3-5-11-8-15(19-14(17-11)6-7-16-19)18-12-9-20-10-13(12)21-4-2/h6-8,12-13,18H,3-5,9-10H2,1-2H3/t12-,13-/m0/s1
• InChIKey: AWBFMBLPCVXYPE-STQMWFEESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(3S*,4R*)-4-ethoxytetrahydro-3-furanyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7023357
• LogD (pH = 7.4): 1.702382
• Log P: 1.7023826
• Molar Refractivity: 91.2471 cm^3
• Polarizability: 30.690035 Å^3
• Polar Surface Area: 60.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.7
• LOG S: -2.77
• Polar Surface Area: 60.68 Å^2
• Rotatable Bonds: 6