2-ethyl-N-[3-(pyridin-2-yl)propyl]pyrimidine-5-carboxamide

• ChemBase ID: 373740
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: c1(C(=O)NCCCc2ncccc2)cnc(nc1)CC
• Canonical SMILES: CCc1ncc(cn1)C(=O)NCCCc1ccccn1
• InChI: InChI=1S/C15H18N4O/c1-2-14-18-10-12(11-19-14)15(20)17-9-5-7-13-6-3-4-8-16-13/h3-4,6,8,10-11H,2,5,7,9H2,1H3,(H,17,20)
• InChIKey: OBVXPXWBQJSBJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-[3-(pyridin-2-yl)propyl]pyrimidine-5-carboxamide
• IUPAC Traditional name: 2-ethyl-N-[3-(pyridin-2-yl)propyl]pyrimidine-5-carboxamide
• Synonyms: 2-ethyl-N-[3-(2-pyridinyl)propyl]-5-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.202945
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2855392
• LogD (pH = 7.4): 1.3325796
• Log P: 1.3332164
• Molar Refractivity: 77.3366 cm^3
• Polarizability: 29.201494 Å^3
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.79
• LOG S: -0.55
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 6