N,5-dimethyl-N-[2-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 438626
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: n12c(cc(nc1ccn2)C)N(CC(N1CCOCC1)C)C
• Canonical SMILES: CC(N1CCOCC1)CN(c1cc(C)nc2n1ncc2)C
• InChI: InChI=1S/C15H23N5O/c1-12-10-15(20-14(17-12)4-5-16-20)18(3)11-13(2)19-6-8-21-9-7-19/h4-5,10,13H,6-9,11H2,1-3H3
• InChIKey: JMBSSWXZJMPONO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5-dimethyl-N-[2-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N,5-dimethyl-N-[2-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,5-dimethyl-N-[2-(4-morpholinyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.26189277
• LogD (pH = 7.4): 1.0668513
• Log P: 1.1983968
• Molar Refractivity: 93.5594 cm^3
• Polarizability: 31.5101 Å^3
• Polar Surface Area: 45.9 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: 1.19
• LOG S: -1.32
• Polar Surface Area: 45.9 Å^2
• Rotatable Bonds: 4