(2R,6S)-4-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-2,6-dimethylmorpholine

• ChemBase ID: 614823
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: n12c(N3C[C@@H](O[C@@H](C3)C)C)cc(nc1cc(n2)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)c1cc(C)nc2n1nc(c2)C
• InChI: InChI=1S/C14H20N4O/c1-9-6-14(17-7-11(3)19-12(4)8-17)18-13(15-9)5-10(2)16-18/h5-6,11-12H,7-8H2,1-4H3/t11-,12+
• InChIKey: OIEPUWGDCQFUMZ-TXEJJXNPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-4-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6S)-4-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-2,6-dimethylmorpholine
• Synonyms: 7-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7273196
• LogD (pH = 7.4): 1.7276927
• Log P: 1.7276974
• Molar Refractivity: 84.5506 cm^3
• Polarizability: 28.063536 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.86
• LOG S: -2.69
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 1