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

• ChemBase ID: 707872
• Molecular Formular: C13H19N5O
• Molecular Mass: 261.32286
• Monoisotopic Mass: 261.15896025
• SMILES: n12c(N3CC(OCC3)CCN)cc(nc1ccn2)C
• Canonical SMILES: NCCC1OCCN(C1)c1cc(C)nc2n1ncc2
• InChI: InChI=1S/C13H19N5O/c1-10-8-13(18-12(16-10)3-5-15-18)17-6-7-19-11(9-17)2-4-14/h3,5,8,11H,2,4,6-7,9,14H2,1H3
• InChIKey: OPQRYVRWDOWHQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.9363403
• LogD (pH = 7.4): -2.467772
• Log P: 0.08592021
• Molar Refractivity: 83.6069 cm^3
• Polarizability: 27.833076 Å^3
• Polar Surface Area: 68.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.1
• LOG S: -0.01
• Polar Surface Area: 68.68 Å^2
• Rotatable Bonds: 3