4-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-2-(2-methoxyethyl)morpholine

• ChemBase ID: 701111
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: n12c(nc(cc1N1CC(OCC1)CCOC)C)cc(n2)C
• Canonical SMILES: COCCC1OCCN(C1)c1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C15H22N4O2/c1-11-9-15(19-14(16-11)8-12(2)17-19)18-5-7-21-13(10-18)4-6-20-3/h8-9,13H,4-7,10H2,1-3H3
• InChIKey: TXMOCJNMLVNMIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-2-(2-methoxyethyl)morpholine
• IUPAC Traditional name: 4-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-2-(2-methoxyethyl)morpholine
• Synonyms: 7-[2-(2-methoxyethyl)morpholin-4-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.96692073
• LogD (pH = 7.4): 0.9672939
• Log P: 0.9672987
• Molar Refractivity: 91.2921 cm^3
• Polarizability: 30.612103 Å^3
• Polar Surface Area: 51.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.94
• LOG S: -2.12
• Polar Surface Area: 51.89 Å^2
• Rotatable Bonds: 4