N2-(5,6-dimethylpyrimidin-4-yl)-N1-(3-methylpyridin-4-yl)ethane-1,2-diamine

• ChemBase ID: 598582
• Molecular Formular: C14H19N5
• Molecular Mass: 257.33416
• Monoisotopic Mass: 257.16404563
• SMILES: c1(c(ncnc1C)NCCNc1c(cncc1)C)C
• Canonical SMILES: Cc1cnccc1NCCNc1ncnc(c1C)C
• InChI: InChI=1S/C14H19N5/c1-10-8-15-5-4-13(10)16-6-7-17-14-11(2)12(3)18-9-19-14/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H,17,18,19)
• InChIKey: UMLBBFAQHMXLCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2-(5,6-dimethylpyrimidin-4-yl)-N1-(3-methylpyridin-4-yl)ethane-1,2-diamine
• IUPAC Traditional name: N2-(5,6-dimethylpyrimidin-4-yl)-N1-(3-methylpyridin-4-yl)ethane-1,2-diamine
• Synonyms: (5,6-dimethylpyrimidin-4-yl){2-[(3-methylpyridin-4-yl)amino]ethyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.19670801
• LogD (pH = 7.4): 0.38595638
• Log P: 1.3320106
• Molar Refractivity: 80.0294 cm^3
• Polarizability: 28.481358 Å^3
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.59
• LOG S: -2.19
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 5