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

• ChemBase ID: 384427
• Molecular Formular: C14H17N5S
• Molecular Mass: 287.38328
• Monoisotopic Mass: 287.12046657
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(Cc1nccs1)C)C
• Canonical SMILES: Cc1cc(N(Cc2nccs2)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C14H17N5S/c1-9-7-13(18(4)8-12-15-5-6-20-12)19-14(16-9)10(2)11(3)17-19/h5-7H,8H2,1-4H3
• InChIKey: HGKFNMDKBZJOPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0823872
• LogD (pH = 7.4): 2.082895
• Log P: 2.0829015
• Molar Refractivity: 90.8277 cm^3
• Polarizability: 29.875074 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -3.76
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 3