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

• ChemBase ID: 859447
• Molecular Formular: C16H25N5O
• Molecular Mass: 303.4026
• Monoisotopic Mass: 303.20591045
• SMILES: n12c(nc(cc1NCC(N1CCOCC1)C)C(C)C)ccn2
• Canonical SMILES: CC(N1CCOCC1)CNc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C16H25N5O/c1-12(2)14-10-16(21-15(19-14)4-5-18-21)17-11-13(3)20-6-8-22-9-7-20/h4-5,10,12-13,17H,6-9,11H2,1-3H3
• InChIKey: HORUCLTVMVOTCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5230578
• LogD (pH = 7.4): 1.7165437
• Log P: 1.8066531
• Molar Refractivity: 98.526 cm^3
• Polarizability: 33.34923 Å^3
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.81
• LOG S: -1.95
• Polar Surface Area: 54.69 Å^2
• Rotatable Bonds: 5