4-methyl-2-(piperidin-1-yl)-6-(pyrimidin-5-yl)pyrimidine

• ChemBase ID: 320431
• Molecular Formular: C14H17N5
• Molecular Mass: 255.31828
• Monoisotopic Mass: 255.14839557
• SMILES: c1(nc(c2cncnc2)cc(n1)C)N1CCCCC1
• Canonical SMILES: Cc1nc(nc(c1)c1cncnc1)N1CCCCC1
• InChI: InChI=1S/C14H17N5/c1-11-7-13(12-8-15-10-16-9-12)18-14(17-11)19-5-3-2-4-6-19/h7-10H,2-6H2,1H3
• InChIKey: OMGDFVAJHXOZMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(piperidin-1-yl)-6-(pyrimidin-5-yl)pyrimidine
• IUPAC Traditional name: 4-methyl-2-(piperidin-1-yl)-6-(pyrimidin-5-yl)pyrimidine
• Synonyms: 6-methyl-2-piperidin-1-yl-4,5'-bipyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.920483
• LogD (pH = 7.4): 1.9277732
• Log P: 1.9278669
• Molar Refractivity: 75.2589 cm^3
• Polarizability: 29.095337 Å^3
• Polar Surface Area: 54.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.05
• LOG S: -2.81
• Polar Surface Area: 54.8 Å^2
• Rotatable Bonds: 2