5-fluoro-N4,N4-dimethyl-N2-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyrimidine-2,4-diamine

• ChemBase ID: 519113
• Molecular Formular: C15H17FN6
• Molecular Mass: 300.3340832
• Monoisotopic Mass: 300.14987279
• SMILES: c12n(cc(n1)CNc1nc(c(cn1)F)N(C)C)ccc(c2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)CNc1ncc(c(n1)N(C)C)F
• InChI: InChI=1S/C15H17FN6/c1-10-4-5-22-9-11(19-13(22)6-10)7-17-15-18-8-12(16)14(20-15)21(2)3/h4-6,8-9H,7H2,1-3H3,(H,17,18,20)
• InChIKey: PRVFPYBQKBRLHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-N4,N4-dimethyl-N2-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyrimidine-2,4-diamine
• IUPAC Traditional name: 5-fluoro-N4,N4-dimethyl-N2-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)pyrimidine-2,4-diamine
• Synonyms: 5-fluoro-N~4~,N~4~-dimethyl-N~2~-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.308662
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4324633
• LogD (pH = 7.4): 2.134391
• Log P: 2.152173
• Molar Refractivity: 86.8306 cm^3
• Polarizability: 30.345703 Å^3
• Polar Surface Area: 58.35 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: 2.06
• LOG S: -3.55
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 4