6-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrazin-2-amine

• ChemBase ID: 321430
• Molecular Formular: C18H26N6
• Molecular Mass: 326.43924
• Monoisotopic Mass: 326.22189486
• SMILES: c1(n(CC2CC2)ccn1)C1CN(c2nc(N(C)C)cnc2)CCC1
• Canonical SMILES: CN(c1cncc(n1)N1CCCC(C1)c1nccn1CC1CC1)C
• InChI: InChI=1S/C18H26N6/c1-22(2)16-10-19-11-17(21-16)23-8-3-4-15(13-23)18-20-7-9-24(18)12-14-5-6-14/h7,9-11,14-15H,3-6,8,12-13H2,1-2H3
• InChIKey: SPCKWCTXTQZWRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrazin-2-amine
• IUPAC Traditional name: 6-{3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrazin-2-amine
• Synonyms: 6-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-N,N-dimethylpyrazin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4464978
• LogD (pH = 7.4): 2.2657766
• Log P: 2.3773615
• Molar Refractivity: 97.1048 cm^3
• Polarizability: 35.864098 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: 2.69
• LOG S: -3.88
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5