N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazin-2-amine

• ChemBase ID: 322995
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(C(N2CCOCC2)CNc2nccnc2)oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)C(N1CCOCC1)CNc1cnccn1
• InChI: InChI=1S/C15H20N4O2/c1-12-2-3-14(21-12)13(19-6-8-20-9-7-19)10-18-15-11-16-4-5-17-15/h2-5,11,13H,6-10H2,1H3,(H,17,18)
• InChIKey: UEPFJVITCGSUTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazin-2-amine
• IUPAC Traditional name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazin-2-amine
• Synonyms: N-[2-(5-methyl-2-furyl)-2-(4-morpholinyl)ethyl]-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.76579
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.25249806
• LogD (pH = 7.4): 0.42779493
• Log P: 0.44932884
• Molar Refractivity: 81.1685 cm^3
• Polarizability: 30.44933 Å^3
• Polar Surface Area: 63.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.84
• LOG S: -1.87
• Polar Surface Area: 63.42 Å^2
• Rotatable Bonds: 5