6-(2-methoxypyridin-3-yl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 636961
• Molecular Formular: C14H17N5O
• Molecular Mass: 271.31768
• Monoisotopic Mass: 271.14331019
• SMILES: c1(nc(cc(n1)c1c(nccc1)OC)N)N1CCCC1
• Canonical SMILES: COc1ncccc1c1cc(N)nc(n1)N1CCCC1
• InChI: InChI=1S/C14H17N5O/c1-20-13-10(5-4-6-16-13)11-9-12(15)18-14(17-11)19-7-2-3-8-19/h4-6,9H,2-3,7-8H2,1H3,(H2,15,17,18)
• InChIKey: CNUQLTIPEMYLLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxypyridin-3-yl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-(2-methoxypyridin-3-yl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine
• Synonyms: 6-(2-methoxypyridin-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.9115893
• LogD (pH = 7.4): 2.253312
• Log P: 2.260084
• Molar Refractivity: 79.0358 cm^3
• Polarizability: 30.029015 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: 2.22
• LOG S: -3.08
• Polar Surface Area: 77.16 Å^2
• Rotatable Bonds: 3