1-(2-amino-6-methylpyrimidin-4-yl)-4-(pyridin-2-yl)piperidin-4-ol

• ChemBase ID: 698319
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: n1c(N2CCC(CC2)(c2ncccc2)O)cc(nc1N)C
• Canonical SMILES: Cc1cc(nc(n1)N)N1CCC(CC1)(O)c1ccccn1
• InChI: InChI=1S/C15H19N5O/c1-11-10-13(19-14(16)18-11)20-8-5-15(21,6-9-20)12-4-2-3-7-17-12/h2-4,7,10,21H,5-6,8-9H2,1H3,(H2,16,18,19)
• InChIKey: QLAIELDHQCJUCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-amino-6-methylpyrimidin-4-yl)-4-(pyridin-2-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(2-amino-6-methylpyrimidin-4-yl)-4-(pyridin-2-yl)piperidin-4-ol
• Synonyms: 1-(2-amino-6-methyl-4-pyrimidinyl)-4-(2-pyridinyl)-4-piperidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.365784
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.0150745
• LogD (pH = 7.4): 0.16065335
• Log P: 0.8679464
• Molar Refractivity: 82.3999 cm^3
• Polarizability: 30.373905 Å^3
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.55
• LOG S: -1.75
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 2