{2-[1-(2,4-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl}dimethylamine

• ChemBase ID: 399332
• Molecular Formular: C16H26N4O
• Molecular Mass: 290.40384
• Monoisotopic Mass: 290.21066147
• SMILES: C(=O)(c1c(nc(nc1)C)C)N1C(CCN(C)C)CCCC1
• Canonical SMILES: CN(CCC1CCCCN1C(=O)c1cnc(nc1C)C)C
• InChI: InChI=1S/C16H26N4O/c1-12-15(11-17-13(2)18-12)16(21)20-9-6-5-7-14(20)8-10-19(3)4/h11,14H,5-10H2,1-4H3
• InChIKey: IKTSVNCLHKSRTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[1-(2,4-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl}dimethylamine
• IUPAC Traditional name: {2-[1-(2,4-dimethylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl}dimethylamine
• Synonyms: (2-{1-[(2,4-dimethyl-5-pyrimidinyl)carbonyl]-2-piperidinyl}ethyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4623487
• LogD (pH = 7.4): -0.92591864
• Log P: 0.93424296
• Molar Refractivity: 85.5067 cm^3
• Polarizability: 32.27536 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.27
• LOG S: -2.86
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4