4-ethoxy-N-methyl-N-[2-(pyridin-4-yl)ethyl]pyrimidin-2-amine

• ChemBase ID: 767067
• Molecular Formular: C14H18N4O
• Molecular Mass: 258.31892
• Monoisotopic Mass: 258.14806122
• SMILES: n1c(nccc1OCC)N(CCc1ccncc1)C
• Canonical SMILES: CCOc1ccnc(n1)N(CCc1ccncc1)C
• InChI: InChI=1S/C14H18N4O/c1-3-19-13-6-10-16-14(17-13)18(2)11-7-12-4-8-15-9-5-12/h4-6,8-10H,3,7,11H2,1-2H3
• InChIKey: GBZHNLCUACMWRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-N-methyl-N-[2-(pyridin-4-yl)ethyl]pyrimidin-2-amine
• IUPAC Traditional name: 4-ethoxy-N-methyl-N-[2-(pyridin-4-yl)ethyl]pyrimidin-2-amine
• Synonyms: 4-ethoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0854037
• LogD (pH = 7.4): 2.4191692
• Log P: 2.4256215
• Molar Refractivity: 75.8329 cm^3
• Polarizability: 28.180468 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.67
• LOG S: -2.06
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 6