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

• ChemBase ID: 775055
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c1(=O)n(c(cc(n1)C)C)CCNC(=O)C(N1CCOCC1)c1cnccc1
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)NCCn1c(C)cc(nc1=O)C
• InChI: InChI=1S/C19H25N5O3/c1-14-12-15(2)24(19(26)22-14)7-6-21-18(25)17(16-4-3-5-20-13-16)23-8-10-27-11-9-23/h3-5,12-13,17H,6-11H2,1-2H3,(H,21,25)
• InChIKey: WUEHJJXEQOVGKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-(morpholin-4-yl)-2-(pyridin-3-yl)acetamide
• Synonyms: N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-(4-morpholinyl)-2-(3-pyridinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.034493
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.66775733
• LogD (pH = 7.4): -0.5526399
• Log P: -0.5509648
• Molar Refractivity: 102.3692 cm^3
• Polarizability: 38.89581 Å^3
• Polar Surface Area: 87.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.09
• LOG S: -0.99
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6