2,5,6-trimethyl-N-[3-(pyridin-3-yloxy)propyl]pyrimidin-4-amine

• ChemBase ID: 846469
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: n1c(c(c(nc1C)C)C)NCCCOc1cnccc1
• Canonical SMILES: Cc1nc(NCCCOc2cccnc2)c(c(n1)C)C
• InChI: InChI=1S/C15H20N4O/c1-11-12(2)18-13(3)19-15(11)17-8-5-9-20-14-6-4-7-16-10-14/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,18,19)
• InChIKey: KSHSBJDHKTUMOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,6-trimethyl-N-[3-(pyridin-3-yloxy)propyl]pyrimidin-4-amine
• IUPAC Traditional name: 2,5,6-trimethyl-N-[3-(pyridin-3-yloxy)propyl]pyrimidin-4-amine
• Synonyms: 2,5,6-trimethyl-N-[3-(pyridin-3-yloxy)propyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.42894077
• LogD (pH = 7.4): 1.7571436
• Log P: 1.8761771
• Molar Refractivity: 80.7474 cm^3
• Polarizability: 29.865152 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.81
• LOG S: -3.11
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6