6-ethyl-2-(morpholin-4-yl)-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine

• ChemBase ID: 346497
• Molecular Formular: C17H23N5O
• Molecular Mass: 313.39742
• Monoisotopic Mass: 313.19026038
• SMILES: c1(nc(cc(n1)CC)NCCc1ncccc1)N1CCOCC1
• Canonical SMILES: CCc1cc(NCCc2ccccn2)nc(n1)N1CCOCC1
• InChI: InChI=1S/C17H23N5O/c1-2-14-13-16(19-8-6-15-5-3-4-7-18-15)21-17(20-14)22-9-11-23-12-10-22/h3-5,7,13H,2,6,8-12H2,1H3,(H,19,20,21)
• InChIKey: VLAPHURJSTZNJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2-(morpholin-4-yl)-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-ethyl-2-(morpholin-4-yl)-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine
• Synonyms: 6-ethyl-2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.40298045
• LogD (pH = 7.4): 1.963961
• Log P: 2.3424919
• Molar Refractivity: 92.53 cm^3
• Polarizability: 34.051403 Å^3
• Polar Surface Area: 63.17 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: 2.69
• LOG S: -2.48
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 6