N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide

• ChemBase ID: 652380
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: C1(=O)N(c2c(C(=O)NCCc3nc(cc(n3)C)C)cccc2)CCC(=O)N1
• Canonical SMILES: O=C1CCN(C(=O)N1)c1ccccc1C(=O)NCCc1nc(C)cc(n1)C
• InChI: InChI=1S/C19H21N5O3/c1-12-11-13(2)22-16(21-12)7-9-20-18(26)14-5-3-4-6-15(14)24-10-8-17(25)23-19(24)27/h3-6,11H,7-10H2,1-2H3,(H,20,26)(H,23,25,27)
• InChIKey: WJDGVWQNOMRAED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
• IUPAC Traditional name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
• Synonyms: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.12377
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.65981674
• LogD (pH = 7.4): 0.6604893
• Log P: 0.6605803
• Molar Refractivity: 99.0649 cm^3
• Polarizability: 37.26689 Å^3
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.92
• LOG S: -2.4
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 5