5-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]pyridin-2-amine

• ChemBase ID: 716890
• Molecular Formular: C16H15N5
• Molecular Mass: 277.3238
• Monoisotopic Mass: 277.13274551
• SMILES: n1c(c2cnc(cc2)N)nccc1c1c(nc(cc1)C)C
• Canonical SMILES: Nc1ccc(cn1)c1nccc(n1)c1ccc(nc1C)C
• InChI: InChI=1S/C16H15N5/c1-10-3-5-13(11(2)20-10)14-7-8-18-16(21-14)12-4-6-15(17)19-9-12/h3-9H,1-2H3,(H2,17,19)
• InChIKey: ZMOHBJRPDZOCDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]pyridin-2-amine
• IUPAC Traditional name: 5-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]pyridin-2-amine
• Synonyms: 5-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4437442
• LogD (pH = 7.4): 2.2050095
• Log P: 2.2217133
• Molar Refractivity: 92.7807 cm^3
• Polarizability: 32.685516 Å^3
• Polar Surface Area: 77.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.04
• LOG S: -3.82
• Polar Surface Area: 77.58 Å^2
• Rotatable Bonds: 2