6-cyclopropyl-N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]pyrimidin-4-amine

• ChemBase ID: 507111
• Molecular Formular: C15H24N4O2S
• Molecular Mass: 324.44166
• Monoisotopic Mass: 324.16199703
• SMILES: S(=O)(=O)(N1C(CCNc2cc(C3CC3)ncn2)CCCC1)C
• Canonical SMILES: CS(=O)(=O)N1CCCCC1CCNc1ncnc(c1)C1CC1
• InChI: InChI=1S/C15H24N4O2S/c1-22(20,21)19-9-3-2-4-13(19)7-8-16-15-10-14(12-5-6-12)17-11-18-15/h10-13H,2-9H2,1H3,(H,16,17,18)
• InChIKey: ABICMTRYGXIOMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropyl-N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-cyclopropyl-N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]pyrimidin-4-amine
• Synonyms: 6-cyclopropyl-N-{2-[1-(methylsulfonyl)piperidin-2-yl]ethyl}pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.35554177
• LogD (pH = 7.4): 0.73100483
• Log P: 0.7388081
• Molar Refractivity: 87.7892 cm^3
• Polarizability: 33.73781 Å^3
• Polar Surface Area: 75.19 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: 2.35
• LOG S: -3.23
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5