5-ethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 758372
• Molecular Formular: C15H22N4O
• Molecular Mass: 274.36138
• Monoisotopic Mass: 274.17936134
• SMILES: n12c(nc(cc1NCCCC1COCC1)CC)ccn2
• Canonical SMILES: CCc1cc(NCCCC2COCC2)n2c(n1)ccn2
• InChI: InChI=1S/C15H22N4O/c1-2-13-10-15(19-14(18-13)5-8-17-19)16-7-3-4-12-6-9-20-11-12/h5,8,10,12,16H,2-4,6-7,9,11H2,1H3
• InChIKey: WUWLWLGAPLYNFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-[3-(oxolan-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-[3-(tetrahydrofuran-3-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9132535
• LogD (pH = 7.4): 1.9133027
• Log P: 1.9133033
• Molar Refractivity: 90.3336 cm^3
• Polarizability: 29.981806 Å^3
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.26
• LOG S: -3.13
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 6