1-[2-(5-aminopyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol

• ChemBase ID: 546743
• Molecular Formular: C14H17N5O
• Molecular Mass: 271.31768
• Monoisotopic Mass: 271.14331019
• SMILES: n1c(c2cc(N)cnc2)nccc1N1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)c1ccnc(n1)c1cncc(c1)N
• InChI: InChI=1S/C14H17N5O/c15-11-7-10(8-16-9-11)14-17-4-1-13(18-14)19-5-2-12(20)3-6-19/h1,4,7-9,12,20H,2-3,5-6,15H2
• InChIKey: JZZXUHIJPAEDDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(5-aminopyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
• IUPAC Traditional name: 1-[2-(5-aminopyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
• Synonyms: 1-[2-(5-aminopyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.177715
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.40265837
• LogD (pH = 7.4): 0.55145794
• Log P: 0.55371225
• Molar Refractivity: 89.1433 cm^3
• Polarizability: 29.293667 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: 0.03
• LOG S: -1.21
• Polar Surface Area: 88.16 Å^2
• Rotatable Bonds: 2