2-(4-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}morpholin-2-yl)ethan-1-amine

• ChemBase ID: 479504
• Molecular Formular: C18H21N5O
• Molecular Mass: 323.39224
• Monoisotopic Mass: 323.17461032
• SMILES: c1(n2c(nc(c1)c1ccccc1)ccn2)N1CC(OCC1)CCN
• Canonical SMILES: NCCC1OCCN(C1)c1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C18H21N5O/c19-8-6-15-13-22(10-11-24-15)18-12-16(14-4-2-1-3-5-14)21-17-7-9-20-23(17)18/h1-5,7,9,12,15H,6,8,10-11,13,19H2
• InChIKey: AWURRTMJIBMUAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}morpholin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-{5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}morpholin-2-yl)ethanamine
• Synonyms: 2-[4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-2-morpholinyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.034625
• LogD (pH = 7.4): -0.5660663
• Log P: 1.9876257
• Molar Refractivity: 103.7796 cm^3
• Polarizability: 37.023586 Å^3
• Polar Surface Area: 68.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.25
• LOG S: -1.62
• Polar Surface Area: 68.68 Å^2
• Rotatable Bonds: 4