7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 5
PubChem 130604
Molecular Formula

C21H25ClN8

SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCNCC5

InChI

InChI=1S/C21H25ClN8/c22-17-19(24-14-15-6-2-1-3-7-15)26-18-16(25-17)20(29-10-4-5-11-29)28-21(27-18)30-12-8-23-9-13-30/h1-3,6-7,23H,4-5,8-14H2,(H,24,26,27,28)

synonyms
  • 7-Benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine
  • 109577-83-5
  • CHEMBL141487
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Properties
Property Value
MW 424.9 g/mol
HBD 2
HBA 8
Rotatable Bond Count 5
Exact Mass 424.1890705 g/mol
Monoisotopic Mass 424.1890705 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 535
xlogp 3.3
Topological Polar Surface Area 82.1