N,N,3-trimethyl-2-[(trimethylpyrimidin-4-yl)amino]butanamide

• ChemBase ID: 579269
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(nc(nc(c1C)C)C)NC(C(=O)N(C)C)C(C)C
• Canonical SMILES: Cc1nc(NC(C(=O)N(C)C)C(C)C)c(c(n1)C)C
• InChI: InChI=1S/C14H24N4O/c1-8(2)12(14(19)18(6)7)17-13-9(3)10(4)15-11(5)16-13/h8,12H,1-7H3,(H,15,16,17)
• InChIKey: VJJODOUZQWDIOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,3-trimethyl-2-[(trimethylpyrimidin-4-yl)amino]butanamide
• IUPAC Traditional name: N,N,3-trimethyl-2-[(trimethylpyrimidin-4-yl)amino]butanamide
• Synonyms: N~1~,N~1~-dimethyl-N~2~-(2,5,6-trimethylpyrimidin-4-yl)valinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.960836
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7497854
• LogD (pH = 7.4): 1.9445345
• Log P: 2.040291
• Molar Refractivity: 78.6764 cm^3
• Polarizability: 29.069006 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.71
• LOG S: -2.51
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4