2-(5-ethylpyrimidin-2-yl)-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 690739
• Molecular Formular: C19H25N3O
• Molecular Mass: 311.4213
• Monoisotopic Mass: 311.19976244
• SMILES: C(=O)(c1c(c2ncc(cn2)CC)cccc1)N(C(C)C)C(C)C
• Canonical SMILES: CCc1cnc(nc1)c1ccccc1C(=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C19H25N3O/c1-6-15-11-20-18(21-12-15)16-9-7-8-10-17(16)19(23)22(13(2)3)14(4)5/h7-14H,6H2,1-5H3
• InChIKey: BJFOYBVPBTYOBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-ethylpyrimidin-2-yl)-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: 2-(5-ethylpyrimidin-2-yl)-N,N-diisopropylbenzamide
• Synonyms: 2-(5-ethylpyrimidin-2-yl)-N,N-diisopropylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.087502
• LogD (pH = 7.4): 4.087512
• Log P: 4.087512
• Molar Refractivity: 104.9822 cm^3
• Polarizability: 36.32086 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.04
• LOG S: -4.06
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 5