1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 7
PubChem 155928411
Molecular Formula

C21H30N6O3

SMILES

CCC1=C(C(=NC(=N1)N)N)OCCCNC2=CC=CC=C2N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H30N6O3/c1-2-15-18(19(22)26-21(23)25-15)30-13-5-10-24-16-6-3-4-7-17(16)27-11-8-14(9-12-27)20(28)29/h3-4,6-7,14,24H,2,5,8-13H2,1H3,(H,28,29)(H4,22,23,25,26)

synonyms
  • 1-[2-({3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propyl}amino)phenyl]piperidine-4-carboxylic acid
  • WFA
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Properties
Property Value
MW 414.5 g/mol
HBD 4
HBA 9
Rotatable Bond Count 9
Exact Mass 414.23793884 g/mol
Monoisotopic Mass 414.23793884 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 531
xlogp 2.5
Topological Polar Surface Area 140