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

• ChemBase ID: 577271
• Molecular Formular: C15H18N6
• Molecular Mass: 282.34362
• Monoisotopic Mass: 282.15929461
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)NC(c1ncncc1)C
• Canonical SMILES: CC(c1ccncn1)Nc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C15H18N6/c1-10(2)13-8-15(21-14(20-13)5-7-18-21)19-11(3)12-4-6-16-9-17-12/h4-11,19H,1-3H3
• InChIKey: MBBQZCWHOUJMLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0410662
• LogD (pH = 7.4): 2.0411322
• Log P: 2.041133
• Molar Refractivity: 92.2622 cm^3
• Polarizability: 30.452862 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1
• Log P: 1.34
• LOG S: -2.4