2-methyl-6-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrimidin-4-ol

• ChemBase ID: 333317
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: N1(c2nnc(cc2)C)CC(c2nc(nc(c2)O)C)CCC1
• Canonical SMILES: Cc1ccc(nn1)N1CCCC(C1)c1cc(O)nc(n1)C
• InChI: InChI=1S/C15H19N5O/c1-10-5-6-14(19-18-10)20-7-3-4-12(9-20)13-8-15(21)17-11(2)16-13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,16,17,21)
• InChIKey: URGWEBRYKGOJSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrimidin-4-ol
• IUPAC Traditional name: 2-methyl-6-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyrimidin-4-ol
• Synonyms: 2-methyl-6-[1-(6-methyl-3-pyridazinyl)-3-piperidinyl]-4-pyrimidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.671282
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.093049
• LogD (pH = 7.4): 2.126041
• Log P: 2.1264806
• Molar Refractivity: 82.9148 cm^3
• Polarizability: 30.037567 Å^3
• Polar Surface Area: 75.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.17
• LOG S: -2.45
• Polar Surface Area: 75.03 Å^2
• Rotatable Bonds: 2