5,6-dimethyl-N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}pyrimidin-4-amine

• ChemBase ID: 318894
• Molecular Formular: C15H16N6S
• Molecular Mass: 312.39274
• Monoisotopic Mass: 312.11571554
• SMILES: c1(nc(cs1)CCNc1c(c(ncn1)C)C)c1ncccn1
• Canonical SMILES: Cc1c(NCCc2csc(n2)c2ncccn2)ncnc1C
• InChI: InChI=1S/C15H16N6S/c1-10-11(2)19-9-20-13(10)18-7-4-12-8-22-15(21-12)14-16-5-3-6-17-14/h3,5-6,8-9H,4,7H2,1-2H3,(H,18,19,20)
• InChIKey: UAVMNKOTUFAWNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}pyrimidin-4-amine
• IUPAC Traditional name: 5,6-dimethyl-N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}pyrimidin-4-amine
• Synonyms: 5,6-dimethyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.7722597
• LogD (pH = 7.4): 2.3080535
• Log P: 2.3221533
• Molar Refractivity: 108.9013 cm^3
• Polarizability: 32.036346 Å^3
• Polar Surface Area: 76.48 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: 2.4
• LOG S: -2.82
• Polar Surface Area: 76.48 Å^2
• Rotatable Bonds: 5