5-(2,3-difluorophenyl)pyrimidin-2-amine

• ChemBase ID: 488487
• Molecular Formular: C10H7F2N3
• Molecular Mass: 207.1794864
• Monoisotopic Mass: 207.06080368
• SMILES: c1(ncc(c2c(c(F)ccc2)F)cn1)N
• Canonical SMILES: Nc1ncc(cn1)c1cccc(c1F)F
• InChI: InChI=1S/C10H7F2N3/c11-8-3-1-2-7(9(8)12)6-4-14-10(13)15-5-6/h1-5H,(H2,13,14,15)
• InChIKey: XIMVIOHPEZLINO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,3-difluorophenyl)pyrimidin-2-amine
• IUPAC Traditional name: 5-(2,3-difluorophenyl)pyrimidin-2-amine
• Synonyms: 5-(2,3-difluorophenyl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.38584
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8310273
• LogD (pH = 7.4): 1.8322097
• Log P: 1.8322247
• Molar Refractivity: 52.9377 cm^3
• Polarizability: 19.969114 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.79
• LOG S: -2.24
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1