N,2,3,5-tetramethyl-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 642524
• Molecular Formular: C15H18N4S
• Molecular Mass: 286.39522
• Monoisotopic Mass: 286.1252176
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(Cc1cscc1)C)C
• Canonical SMILES: Cc1cc(N(Cc2ccsc2)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C15H18N4S/c1-10-7-14(18(4)8-13-5-6-20-9-13)19-15(16-10)11(2)12(3)17-19/h5-7,9H,8H2,1-4H3
• InChIKey: OTPIDHFKBJGOIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,3,5-tetramethyl-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N,2,3,5-tetramethyl-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N,2,3,5-tetramethyl-N-(3-thienylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.131063
• LogD (pH = 7.4): 3.1313803
• Log P: 3.1313844
• Molar Refractivity: 93.3981 cm^3
• Polarizability: 30.732025 Å^3
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.88
• LOG S: -4.6
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 3