5-ethyl-N-methyl-N-[2-(morpholin-4-yl)propyl]pyrimidin-2-amine

• ChemBase ID: 774063
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(ncc(cn1)CC)N(CC(N1CCOCC1)C)C
• Canonical SMILES: CCc1cnc(nc1)N(CC(N1CCOCC1)C)C
• InChI: InChI=1S/C14H24N4O/c1-4-13-9-15-14(16-10-13)17(3)11-12(2)18-5-7-19-8-6-18/h9-10,12H,4-8,11H2,1-3H3
• InChIKey: XFVLTBWPKQZMSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-methyl-N-[2-(morpholin-4-yl)propyl]pyrimidin-2-amine
• IUPAC Traditional name: 5-ethyl-N-methyl-N-[2-(morpholin-4-yl)propyl]pyrimidin-2-amine
• Synonyms: 5-ethyl-N-methyl-N-(2-morpholin-4-ylpropyl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.7663558
• LogD (pH = 7.4): 1.9285904
• Log P: 2.0112746
• Molar Refractivity: 78.2515 cm^3
• Polarizability: 29.505089 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.17
• LOG S: -1.97
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 5