N-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide

• ChemBase ID: 457504
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: c1(N2CC(N(C(=O)C)CC)CC2)nc(cc(n1)C)C
• Canonical SMILES: CCN(C1CCN(C1)c1nc(C)cc(n1)C)C(=O)C
• InChI: InChI=1S/C14H22N4O/c1-5-18(12(4)19)13-6-7-17(9-13)14-15-10(2)8-11(3)16-14/h8,13H,5-7,9H2,1-4H3
• InChIKey: CJJWQSRGVUNCEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
• IUPAC Traditional name: N-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide
• Synonyms: N-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-ethylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5361291
• LogD (pH = 7.4): 0.6482151
• Log P: 0.64985436
• Molar Refractivity: 75.8854 cm^3
• Polarizability: 28.423016 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.62
• LOG S: -2.5
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3