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

• ChemBase ID: 465007
• Molecular Formular: C14H16N4O
• Molecular Mass: 256.30304
• Monoisotopic Mass: 256.13241115
• SMILES: n12c(nc(cc1NCCc1occc1)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2NCCc1ccco1)C
• InChI: InChI=1S/C14H16N4O/c1-10-8-13(15-6-5-12-4-3-7-19-12)18-14(16-10)9-11(2)17-18/h3-4,7-9,15H,5-6H2,1-2H3
• InChIKey: YRFIAWMMIJHHKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(furan-2-yl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[2-(2-furyl)ethyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3220733
• LogD (pH = 7.4): 1.3224567
• Log P: 1.3224616
• Molar Refractivity: 84.2726 cm^3
• Polarizability: 27.118263 Å^3
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.85
• LOG S: -3.5
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 4