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

• ChemBase ID: 850483
• Molecular Formular: C15H18N6
• Molecular Mass: 282.34362
• Monoisotopic Mass: 282.15929461
• SMILES: n12c(nc(cc1NCCc1nccnc1)C(C)C)ccn2
• Canonical SMILES: CC(c1cc(NCCc2cnccn2)n2c(n1)ccn2)C
• InChI: InChI=1S/C15H18N6/c1-11(2)13-9-15(21-14(20-13)4-6-19-21)18-5-3-12-10-16-7-8-17-12/h4,6-11,18H,3,5H2,1-2H3
• InChIKey: DNJSKQOLKLFLHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)-N-[2-(pyrazin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-N-[2-(pyrazin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-N-[2-(2-pyrazinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.197484
• LogD (pH = 7.4): 1.1975461
• Log P: 1.197547
• Molar Refractivity: 91.4896 cm^3
• Polarizability: 30.376448 Å^3
• Polar Surface Area: 68.0 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: 1.61
• LOG S: -2.63
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 5