5-methoxy-2-[4-(3-methylpyridin-2-yl)piperazin-1-yl]pyrimidine

• ChemBase ID: 518669
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(N2CCN(c3ncccc3C)CC2)ncc(cn1)OC
• Canonical SMILES: COc1cnc(nc1)N1CCN(CC1)c1ncccc1C
• InChI: InChI=1S/C15H19N5O/c1-12-4-3-5-16-14(12)19-6-8-20(9-7-19)15-17-10-13(21-2)11-18-15/h3-5,10-11H,6-9H2,1-2H3
• InChIKey: YJAXWMOVQUOICE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-[4-(3-methylpyridin-2-yl)piperazin-1-yl]pyrimidine
• IUPAC Traditional name: 5-methoxy-2-[4-(3-methylpyridin-2-yl)piperazin-1-yl]pyrimidine
• Synonyms: 5-methoxy-2-[4-(3-methyl-2-pyridinyl)-1-piperazinyl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.1477721
• LogD (pH = 7.4): 2.192268
• Log P: 2.3073404
• Molar Refractivity: 83.3065 cm^3
• Polarizability: 30.442804 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.27
• LOG S: -3.22
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 3