5,6-diamino-2-ethyl-8-(morpholin-4-yl)-1H,2H-furo[2,3-c]2,7-naphthyridine-9-carbonitrile

• ChemBase ID: 249933
• Molecular Formular: C17H20N6O2
• Molecular Mass: 340.3797
• Monoisotopic Mass: 340.16477391
• SMILES: c1(c(nc(c2c1c1c(nc2N)OC(C1)CC)N)N1CCOCC1)C#N
• Canonical SMILES: CCC1Oc2c(C1)c1c(C#N)c(nc(c1c(n2)N)N)N1CCOCC1
• InChI: InChI=1S/C17H20N6O2/c1-2-9-7-10-12-11(8-18)16(23-3-5-24-6-4-23)21-14(19)13(12)15(20)22-17(10)25-9/h9H,2-7H2,1H3,(H2,19,21)(H2,20,22)
• InChIKey: URTHODOUMRXRFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-diamino-2-ethyl-8-(morpholin-4-yl)-1H,2H-furo[2,3-c]2,7-naphthyridine-9-carbonitrile
• IUPAC Traditional name: 5,6-diamino-2-ethyl-8-(morpholin-4-yl)-1H,2H-furo[2,3-c]2,7-naphthyridine-9-carbonitrile
• Synonyms: 5,6-diamino-2-ethyl-8-morpholin-4-yl-1,2-dihydrofuro[2,3-c]-2,7-naphthyridine-9-carbonitrile

Database IDs

• MDL Number: MFCD05272454
• PubChem SID: 164305843
• PubChem CID: 4282381

CALCULATED PROPERTIES

• Acid pKa: 19.530928
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): 1.8134851
• LogD (pH = 7.4): 1.8142998
• Log P: 1.8143102
• Molar Refractivity: 96.7895 cm^3
• Polarizability: 35.869743 Å^3
• Polar Surface Area: 123.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%