N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-5-methylpyrimidin-2-amine

• ChemBase ID: 479829
• Molecular Formular: C15H27N5
• Molecular Mass: 277.40838
• Monoisotopic Mass: 277.22664589
• SMILES: c1(ncc(cn1)C)NCC1(CCN(CC1)CC)N(C)C
• Canonical SMILES: CCN1CCC(CC1)(CNc1ncc(cn1)C)N(C)C
• InChI: InChI=1S/C15H27N5/c1-5-20-8-6-15(7-9-20,19(3)4)12-18-14-16-10-13(2)11-17-14/h10-11H,5-9,12H2,1-4H3,(H,16,17,18)
• InChIKey: LLTYUZGTGYSECQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-5-methylpyrimidin-2-amine
• IUPAC Traditional name: N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-5-methylpyrimidin-2-amine
• Synonyms: N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-5-methylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.638331
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.087678
• LogD (pH = 7.4): -1.5481615
• Log P: 1.0407484
• Molar Refractivity: 86.0117 cm^3
• Polarizability: 32.18662 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.93
• LOG S: -1.86
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 5