5-{6-[3-(dimethylamino)propoxy]pyridin-3-yl}pyrazin-2-amine

• ChemBase ID: 504908
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: n1c(c2cnc(cc2)OCCCN(C)C)cnc(c1)N
• Canonical SMILES: CN(CCCOc1ccc(cn1)c1cnc(cn1)N)C
• InChI: InChI=1S/C14H19N5O/c1-19(2)6-3-7-20-14-5-4-11(8-18-14)12-9-17-13(15)10-16-12/h4-5,8-10H,3,6-7H2,1-2H3,(H2,15,17)
• InChIKey: UCEQJKGQGZSYPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{6-[3-(dimethylamino)propoxy]pyridin-3-yl}pyrazin-2-amine
• IUPAC Traditional name: 5-{6-[3-(dimethylamino)propoxy]pyridin-3-yl}pyrazin-2-amine
• Synonyms: 5-{6-[3-(dimethylamino)propoxy]pyridin-3-yl}pyrazin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.6755836
• LogD (pH = 7.4): -1.218708
• Log P: 0.6342263
• Molar Refractivity: 79.0266 cm^3
• Polarizability: 31.146475 Å^3
• Polar Surface Area: 77.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.46
• LOG S: -1.43
• Polar Surface Area: 77.16 Å^2
• Rotatable Bonds: 6