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

• ChemBase ID: 691181
• Molecular Formular: C15H22N4O
• Molecular Mass: 274.36138
• Monoisotopic Mass: 274.17936134
• SMILES: n12c(nc(cc1NCC1CCOCC1)C(C)C)ccn2
• Canonical SMILES: CC(c1cc(NCC2CCOCC2)n2c(n1)ccn2)C
• InChI: InChI=1S/C15H22N4O/c1-11(2)13-9-15(19-14(18-13)3-6-17-19)16-10-12-4-7-20-8-5-12/h3,6,9,11-12,16H,4-5,7-8,10H2,1-2H3
• InChIKey: CTIGFHORNKBTIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.32
• LOG S: -3.18
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1

JChem

• Molar Refractivity: 90.3071 cm^3
• Polarizability: 29.981316 Å^3
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0116735
• LogD (pH = 7.4): 2.0117204
• Log P: 2.011721