3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)-N-ethyl-N-[3-(morpholin-4-yl)propyl]propanamide

• ChemBase ID: 454148
• Molecular Formular: C18H30N4O3
• Molecular Mass: 350.4558
• Monoisotopic Mass: 350.23179084
• SMILES: c1(=O)n(c(cc(n1)C)C)CCC(=O)N(CCCN1CCOCC1)CC
• Canonical SMILES: CCN(C(=O)CCn1c(C)cc(nc1=O)C)CCCN1CCOCC1
• InChI: InChI=1S/C18H30N4O3/c1-4-21(8-5-7-20-10-12-25-13-11-20)17(23)6-9-22-16(3)14-15(2)19-18(22)24/h14H,4-13H2,1-3H3
• InChIKey: VMJKDNUOXWXILJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)-N-ethyl-N-[3-(morpholin-4-yl)propyl]propanamide
• IUPAC Traditional name: 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-ethyl-N-[3-(morpholin-4-yl)propyl]propanamide
• Synonyms: 3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-ethyl-N-(3-morpholin-4-ylpropyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.8063976
• LogD (pH = 7.4): -0.51170474
• Log P: -0.39226523
• Molar Refractivity: 99.3783 cm^3
• Polarizability: 37.564255 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.12
• LOG S: -2.71
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 8