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

• ChemBase ID: 552014
• Molecular Formular: C17H23N5O
• Molecular Mass: 313.39742
• Monoisotopic Mass: 313.19026038
• SMILES: n12c(nc(cc1NCC(c1occc1)N(C)C)C(C)C)ccn2
• Canonical SMILES: CN(C(c1ccco1)CNc1cc(nc2n1ncc2)C(C)C)C
• InChI: InChI=1S/C17H23N5O/c1-12(2)13-10-17(22-16(20-13)7-8-19-22)18-11-14(21(3)4)15-6-5-9-23-15/h5-10,12,14,18H,11H2,1-4H3
• InChIKey: XEIOREGPCLNNMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-isopropylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 1-(2-furyl)-N~2~-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N~1~,N~1~-dimethyl-1,2-ethanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.1065053
• LogD (pH = 7.4): 1.6655192
• Log P: 2.4530654
• Molar Refractivity: 101.7064 cm^3
• Polarizability: 34.315105 Å^3
• Polar Surface Area: 58.6 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: 2.92
• LOG S: -2.97
• Polar Surface Area: 58.6 Å^2
• Rotatable Bonds: 6