N-(2-ethoxybutyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 495489
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCC(OCC)CC)C
• Canonical SMILES: CCOC(CNc1cc(C)nc2n1nc(c2C)C)CC
• InChI: InChI=1S/C15H24N4O/c1-6-13(20-7-2)9-16-14-8-10(3)17-15-11(4)12(5)18-19(14)15/h8,13,16H,6-7,9H2,1-5H3
• InChIKey: WOELKORNURKDJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxybutyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-(2-ethoxybutyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2-ethoxybutyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2398062
• LogD (pH = 7.4): 2.2401292
• Log P: 2.2401333
• Molar Refractivity: 92.1798 cm^3
• Polarizability: 30.548555 Å^3
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.06
• LOG S: -3.83
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 6