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

• ChemBase ID: 532591
• Molecular Formular: C15H13N7S
• Molecular Mass: 323.37562
• Monoisotopic Mass: 323.09531445
• SMILES: n12c(nc(cc1NCc1nc(sc1)c1ncccn1)C)ccn2
• Canonical SMILES: Cc1cc(NCc2csc(n2)c2ncccn2)n2c(n1)ccn2
• InChI: InChI=1S/C15H13N7S/c1-10-7-13(22-12(20-10)3-6-19-22)18-8-11-9-23-15(21-11)14-16-4-2-5-17-14/h2-7,9,18H,8H2,1H3
• InChIKey: WPFKBXGRDPZCDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.7653818
• LogD (pH = 7.4): 1.7654308
• Log P: 1.7654314
• Molar Refractivity: 119.1518 cm^3
• Polarizability: 32.374027 Å^3
• Polar Surface Area: 80.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.5
• LOG S: -2.84
• Polar Surface Area: 80.89 Å^2
• Rotatable Bonds: 4