N,5,6-trimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 634643
• Molecular Formular: C17H26N6
• Molecular Mass: 314.42854
• Monoisotopic Mass: 314.22189486
• SMILES: n1c(nc(c(c1N(CCn1c(ncc1)C)C)C)C)N1CCCC1
• Canonical SMILES: CN(c1nc(nc(c1C)C)N1CCCC1)CCn1ccnc1C
• InChI: InChI=1S/C17H26N6/c1-13-14(2)19-17(23-8-5-6-9-23)20-16(13)21(4)11-12-22-10-7-18-15(22)3/h7,10H,5-6,8-9,11-12H2,1-4H3
• InChIKey: VWFKIXBPSOMTHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,5,6-trimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: N,5,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-(pyrrolidin-1-yl)pyrimidin-4-amine
• Synonyms: N,5,6-trimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.02495366
• LogD (pH = 7.4): 2.0727358
• Log P: 2.6196475
• Molar Refractivity: 95.3939 cm^3
• Polarizability: 34.595993 Å^3
• Polar Surface Area: 50.08 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: 3.15
• LOG S: -4.19
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5