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

• ChemBase ID: 378945
• Molecular Formular: C16H27N5
• Molecular Mass: 289.41908
• Monoisotopic Mass: 289.22664589
• SMILES: n12c(nc(cc1NCC(N(C)C)CCC)C(C)C)ccn2
• Canonical SMILES: CCCC(N(C)C)CNc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C16H27N5/c1-6-7-13(20(4)5)11-17-16-10-14(12(2)3)19-15-8-9-18-21(15)16/h8-10,12-13,17H,6-7,11H2,1-5H3
• InChIKey: GSLOFFVUBKJJJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)pentyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)pentyl]-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N~1~-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N~2~,N~2~-dimethylpentane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.36617333
• LogD (pH = 7.4): 0.99166554
• Log P: 2.9922447
• Molar Refractivity: 98.5765 cm^3
• Polarizability: 33.387314 Å^3
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.27
• LOG S: -3.1
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 7