5-[1-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]-2-(pyrrolidin-1-yl)pyrimidine

• ChemBase ID: 573006
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: n1(c(c2cnc(nc2)N2CCCC2)ncc1)c1cc(ccc1OC)OC
• Canonical SMILES: COc1ccc(cc1n1ccnc1c1cnc(nc1)N1CCCC1)OC
• InChI: InChI=1S/C19H21N5O2/c1-25-15-5-6-17(26-2)16(11-15)24-10-7-20-18(24)14-12-21-19(22-13-14)23-8-3-4-9-23/h5-7,10-13H,3-4,8-9H2,1-2H3
• InChIKey: FYNAYBICROUZKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]-2-(pyrrolidin-1-yl)pyrimidine
• IUPAC Traditional name: 5-[1-(2,5-dimethoxyphenyl)imidazol-2-yl]-2-(pyrrolidin-1-yl)pyrimidine
• Synonyms: 5-[1-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]-2-pyrrolidin-1-ylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.4527228
• LogD (pH = 7.4): 2.710081
• Log P: 2.714955
• Molar Refractivity: 120.6143 cm^3
• Polarizability: 38.71043 Å^3
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.13
• LOG S: -5.29
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 5