5-ethyl-2,3-dimethyl-N-[2-(pyrazin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 768813
• Molecular Formular: C16H20N6
• Molecular Mass: 296.3702
• Monoisotopic Mass: 296.17494467
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCCc1nccnc1)CC
• Canonical SMILES: CCc1cc(NCCc2nccnc2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C16H20N6/c1-4-13-9-15(19-6-5-14-10-17-7-8-18-14)22-16(20-13)11(2)12(3)21-22/h7-10,19H,4-6H2,1-3H3
• InChIKey: NHHWOHBVRPURLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2,3-dimethyl-N-[2-(pyrazin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-2,3-dimethyl-N-[2-(pyrazin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-2,3-dimethyl-N-(2-pyrazin-2-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2990135
• LogD (pH = 7.4): 1.299348
• Log P: 1.2993522
• Molar Refractivity: 96.5478 cm^3
• Polarizability: 32.05723 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: 2.18
• LOG S: -3.22
• Polar Surface Area: 68.0 Å^2
• Rotatable Bonds: 5