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4,6-diamino-2-(phenoxymethyl)-2H,3H-furo[2,3-b]pyridine-5-carbonitrile

4,6-diamino-2-(phenoxymethyl)-2H,3H-furo[2,3-b]pyridine-5-carbonitrile

CAS: 672951-59-6

Formula: C15H14N4O2

SMILES: NC1=C(C#N)C(N)=C2CC(COC3=CC=CC=C3)OC2=N1

IUPAC: 4,6-diamino-2-(phenoxymethyl)-2H,3H-furo[2,3-b]pyridine-5-carbonitrile

InChI: InChI=1/C15H14N4O2/c16-7-12-13(17)11-6-10(21-15(11)19-14(12)18)8-20-9-4-2-1-3-5-9/h1-5,10H,6,8H2,(H4,17,18,19)

Composition: C (63.82%), H (5.00%), N (19.85%), O (11.33%)

Molar Mass: 282.303

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 282.111675707
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey FTXMOVCRRBRMPP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.65
Topological Polar Surface Area 107.18
Polarizability 29.22
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 672951-59-6 $51.35-$524.40$51.35$63.37$86.31$524.40
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