N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-4-(pyridin-2-yl)pyrimidin-2-amine

• ChemBase ID: 696027
• Molecular Formular: C16H18N6
• Molecular Mass: 294.35432
• Monoisotopic Mass: 294.15929461
• SMILES: c1(nc(c2ncccc2)ccn1)N(Cc1n(ccn1)CC)C
• Canonical SMILES: CCn1ccnc1CN(c1nccc(n1)c1ccccn1)C
• InChI: InChI=1S/C16H18N6/c1-3-22-11-10-18-15(22)12-21(2)16-19-9-7-14(20-16)13-6-4-5-8-17-13/h4-11H,3,12H2,1-2H3
• InChIKey: SNTHNSTWWPEILT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-4-(pyridin-2-yl)pyrimidin-2-amine
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-4-(pyridin-2-yl)pyrimidin-2-amine
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-4-(2-pyridinyl)-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7613893
• LogD (pH = 7.4): 2.2807903
• Log P: 2.2974725
• Molar Refractivity: 85.8719 cm^3
• Polarizability: 33.437504 Å^3
• Polar Surface Area: 59.73 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: 1.96
• LOG S: -3.11
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5