4-methoxy-6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidine

• ChemBase ID: 704762
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: c1(C2CN(c3cc(ncn3)OC)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1ncnc(c1)OC
• InChI: InChI=1S/C16H23N5O2/c1-22-9-8-20-7-5-17-16(20)13-4-3-6-21(11-13)14-10-15(23-2)19-12-18-14/h5,7,10,12-13H,3-4,6,8-9,11H2,1-2H3
• InChIKey: OAUHBQLPAIUBBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrimidine
• IUPAC Traditional name: 4-methoxy-6-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}pyrimidine
• Synonyms: 4-methoxy-6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.8027474
• LogD (pH = 7.4): 1.6866045
• Log P: 1.795928
• Molar Refractivity: 89.219 cm^3
• Polarizability: 33.16607 Å^3
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.0
• LOG S: -2.37
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 6