2,3,5-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 866327
• Molecular Formular: C15H19N5S
• Molecular Mass: 301.40986
• Monoisotopic Mass: 301.13611663
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCCc1c(ncs1)C)C
• Canonical SMILES: Cc1cc(NCCc2scnc2C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C15H19N5S/c1-9-7-14(16-6-5-13-12(4)17-8-21-13)20-15(18-9)10(2)11(3)19-20/h7-8,16H,5-6H2,1-4H3
• InChIKey: IWPBZDHQKHITPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9251426
• LogD (pH = 7.4): 1.9269174
• Log P: 1.9269402
• Molar Refractivity: 96.5069 cm^3
• Polarizability: 31.550737 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.83
• LOG S: -3.81
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4