4-methoxy-6-[4-(pyridin-4-yl)piperidin-1-yl]pyrimidin-2-amine

• ChemBase ID: 740524
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: n1c(N2CCC(CC2)c2ccncc2)cc(nc1N)OC
• Canonical SMILES: COc1cc(nc(n1)N)N1CCC(CC1)c1ccncc1
• InChI: InChI=1S/C15H19N5O/c1-21-14-10-13(18-15(16)19-14)20-8-4-12(5-9-20)11-2-6-17-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H2,16,18,19)
• InChIKey: ZJOILUGCCSHCMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-[4-(pyridin-4-yl)piperidin-1-yl]pyrimidin-2-amine
• IUPAC Traditional name: 4-methoxy-6-[4-(pyridin-4-yl)piperidin-1-yl]pyrimidin-2-amine
• Synonyms: 4-methoxy-6-[4-(4-pyridinyl)-1-piperidinyl]-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.355614
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.4796213
• LogD (pH = 7.4): 1.9657155
• Log P: 2.0923998
• Molar Refractivity: 83.5162 cm^3
• Polarizability: 30.43579 Å^3
• Polar Surface Area: 77.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.13
• LOG S: -1.8
• Polar Surface Area: 77.16 Å^2
• Rotatable Bonds: 3