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

• ChemBase ID: 374584
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)NC1CCOCC1
• Canonical SMILES: CC(c1cc(NC2CCOCC2)n2c(n1)ccn2)C
• InChI: InChI=1S/C14H20N4O/c1-10(2)12-9-14(16-11-4-7-19-8-5-11)18-13(17-12)3-6-15-18/h3,6,9-11,16H,4-5,7-8H2,1-2H3
• InChIKey: BRAXFKQVWDFBOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxan-4-yl)-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-N-(tetrahydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5510739
• LogD (pH = 7.4): 1.5511196
• Log P: 1.5511202
• Molar Refractivity: 85.4891 cm^3
• Polarizability: 28.142021 Å^3
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.95
• LOG S: -2.77
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 3