N,N-dimethyl-2-[methyl({[2-(propan-2-yl)pyrimidin-4-yl]methyl})amino]propanamide

• ChemBase ID: 824855
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: C(=O)(C(N(Cc1nc(ncc1)C(C)C)C)C)N(C)C
• Canonical SMILES: CN(C(C(=O)N(C)C)C)Cc1ccnc(n1)C(C)C
• InChI: InChI=1S/C14H24N4O/c1-10(2)13-15-8-7-12(16-13)9-18(6)11(3)14(19)17(4)5/h7-8,10-11H,9H2,1-6H3
• InChIKey: XNIXXQYUTFMDFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[methyl({[2-(propan-2-yl)pyrimidin-4-yl]methyl})amino]propanamide
• IUPAC Traditional name: 2-{[(2-isopropylpyrimidin-4-yl)methyl](methyl)amino}-N,N-dimethylpropanamide
• Synonyms: N~2~-[(2-isopropylpyrimidin-4-yl)methyl]-N~1~,N~1~,N~2~-trimethylalaninamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.046226
• LogD (pH = 7.4): 1.5471944
• Log P: 1.5593818
• Molar Refractivity: 76.7627 cm^3
• Polarizability: 29.607536 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.28
• LOG S: -2.68
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5