2-[({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)(methyl)amino]-N,N-dimethylpropanamide

• ChemBase ID: 651562
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: c12n(ncc1CN(C(C(=O)N(C)C)C)C)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(cn2)CN(C(C(=O)N(C)C)C)C
• InChI: InChI=1S/C15H23N5O/c1-10-7-11(2)20-14(17-10)13(8-16-20)9-19(6)12(3)15(21)18(4)5/h7-8,12H,9H2,1-6H3
• InChIKey: WYAAZDIOLJBBEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)(methyl)amino]-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-[({5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}methyl)(methyl)amino]-N,N-dimethylpropanamide
• Synonyms: 2-[[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl](methyl)amino]-N,N-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.66621894
• LogD (pH = 7.4): 0.5233166
• Log P: 0.61245793
• Molar Refractivity: 94.2516 cm^3
• Polarizability: 31.538004 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.74
• LOG S: -2.8
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 4