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

• ChemBase ID: 322165
• Molecular Formular: C18H19N7S
• Molecular Mass: 365.45536
• Monoisotopic Mass: 365.14226464
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCCc1nc(sc1)c1ncccn1)C
• Canonical SMILES: Cc1cc(NCCc2csc(n2)c2ncccn2)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C18H19N7S/c1-11-9-15(25-17(22-11)12(2)13(3)24-25)19-8-5-14-10-26-18(23-14)16-20-6-4-7-21-16/h4,6-7,9-10,19H,5,8H2,1-3H3
• InChIKey: ONIUYGOZZBKCKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.656417
• LogD (pH = 7.4): 2.6567423
• Log P: 2.6567466
• Molar Refractivity: 133.4839 cm^3
• Polarizability: 37.641705 Å^3
• Polar Surface Area: 80.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.98
• LOG S: -4.41
• Polar Surface Area: 80.89 Å^2
• Rotatable Bonds: 5