5-fluoro-N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-4-(morpholin-4-yl)pyrimidin-2-amine

• ChemBase ID: 577125
• Molecular Formular: C14H17FN6OS
• Molecular Mass: 336.3877832
• Monoisotopic Mass: 336.11685841
• SMILES: c12nc(cn1CCS2)CNc1nc(c(cn1)F)N1CCOCC1
• Canonical SMILES: Fc1cnc(nc1N1CCOCC1)NCc1cn2c(n1)SCC2
• InChI: InChI=1S/C14H17FN6OS/c15-11-8-17-13(19-12(11)20-1-4-22-5-2-20)16-7-10-9-21-3-6-23-14(21)18-10/h8-9H,1-7H2,(H,16,17,19)
• InChIKey: SQZLGVMYNNEYOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-4-(morpholin-4-yl)pyrimidin-2-amine
• IUPAC Traditional name: 5-fluoro-N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-4-(morpholin-4-yl)pyrimidin-2-amine
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.299487
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.4328985
• LogD (pH = 7.4): 1.6176345
• Log P: 1.6204103
• Molar Refractivity: 89.3034 cm^3
• Polarizability: 32.114853 Å^3
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.17
• LOG S: -2.66
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 4