2-(4-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}morpholin-2-yl)ethan-1-amine

• ChemBase ID: 759357
• Molecular Formular: C16H25N5O
• Molecular Mass: 303.4026
• Monoisotopic Mass: 303.20591045
• SMILES: n12c(c(c(n2)C)C)nc(cc1N1CC(OCC1)CCN)CC
• Canonical SMILES: NCCC1OCCN(C1)c1cc(CC)nc2n1nc(c2C)C
• InChI: InChI=1S/C16H25N5O/c1-4-13-9-15(20-7-8-22-14(10-20)5-6-17)21-16(18-13)11(2)12(3)19-21/h9,14H,4-8,10,17H2,1-3H3
• InChIKey: XEXHUHPTRXYXKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}morpholin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}morpholin-2-yl)ethanamine
• Synonyms: 2-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.5912789
• LogD (pH = 7.4): -1.1224478
• Log P: 1.4312476
• Molar Refractivity: 97.8665 cm^3
• Polarizability: 33.189682 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: 1.35
• LOG S: -1.56
• Polar Surface Area: 68.68 Å^2
• Rotatable Bonds: 4