6-(2-aminoethyl)-2-methyl-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine

• ChemBase ID: 820298
• Molecular Formular: C14H19N5
• Molecular Mass: 257.33416
• Monoisotopic Mass: 257.16404563
• SMILES: n1c(cc(nc1C)CCN)NCCc1ncccc1
• Canonical SMILES: NCCc1cc(NCCc2ccccn2)nc(n1)C
• InChI: InChI=1S/C14H19N5/c1-11-18-13(5-7-15)10-14(19-11)17-9-6-12-4-2-3-8-16-12/h2-4,8,10H,5-7,9,15H2,1H3,(H,17,18,19)
• InChIKey: PGKLBYJVGBZRPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)-2-methyl-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-(2-aminoethyl)-2-methyl-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine
• Synonyms: 6-(2-aminoethyl)-2-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.5870993
• LogD (pH = 7.4): -1.0845214
• Log P: 1.0616903
• Molar Refractivity: 77.1375 cm^3
• Polarizability: 28.87131 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.67
• LOG S: 0.59
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 6