N-[2-(dimethylamino)pentyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 792446
• Molecular Formular: C16H27N5
• Molecular Mass: 289.41908
• Monoisotopic Mass: 289.22664589
• SMILES: n12c(nc(cc1NCC(N(C)C)CCC)CCC)ccn2
• Canonical SMILES: CCCC(N(C)C)CNc1cc(CCC)nc2n1ncc2
• InChI: InChI=1S/C16H27N5/c1-5-7-13-11-16(21-15(19-13)9-10-18-21)17-12-14(8-6-2)20(3)4/h9-11,14,17H,5-8,12H2,1-4H3
• InChIKey: JKMLBBKQDLHFAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)pentyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)pentyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N~2~,N~2~-dimethyl-N~1~-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-1,2-pentanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.46483555
• LogD (pH = 7.4): 0.8924147
• Log P: 2.893827
• Molar Refractivity: 98.603 cm^3
• Polarizability: 33.38772 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.45
• LOG S: -3.25
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 8