N,2,3,5-tetramethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 673313
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(Cc1nc(on1)C)C)C
• Canonical SMILES: Cc1onc(n1)CN(c1cc(C)nc2n1nc(c2C)C)C
• InChI: InChI=1S/C14H18N6O/c1-8-6-13(19(5)7-12-16-11(4)21-18-12)20-14(15-8)9(2)10(3)17-20/h6H,7H2,1-5H3
• InChIKey: ICLGTIJVXGBIPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,3,5-tetramethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N,2,3,5-tetramethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,2,3,5-tetramethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.047723
• LogD (pH = 7.4): 2.048039
• Log P: 2.048043
• Molar Refractivity: 90.8598 cm^3
• Polarizability: 28.999557 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.56
• LOG S: -2.62
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 3