Cas no 90213-77-7 (7H-Pyrrolo[2,3-d]pyrimidine, 7,7'-methylenebis[2,4-dichloro-)

7H-Pyrrolo[2,3-d]pyrimidine, 7,7'-methylenebis[2,4-dichloro- structure
90213-77-7 structure
Product Name:7H-Pyrrolo[2,3-d]pyrimidine, 7,7'-methylenebis[2,4-dichloro-
CAS No:90213-77-7
MF:C13H6Cl4N6
MW:388.038937091827
CID:791721
PubChem ID:71429688
Update Time:2025-04-19

7H-Pyrrolo[2,3-d]pyrimidine, 7,7'-methylenebis[2,4-dichloro- Chemical and Physical Properties

Names and Identifiers

    • 7H-Pyrrolo[2,3-d]pyrimidine, 7,7'-methylenebis[2,4-dichloro-
    • 2,4-dichloro-7-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolo[2,3-d]pyrimidine
    • Bis(2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methane
    • 7,7'-Methylenebis(2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine)
    • DTXSID30848356
    • 2,4-dichloro-7-({2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}methyl)-7H-pyrrolo[2,3-d]pyrimidine
    • 90213-77-7
    • Inchi: 1S/C13H6Cl4N6/c14-8-6-1-3-22(10(6)20-12(16)18-8)5-23-4-2-7-9(15)19-13(17)21-11(7)23/h1-4H,5H2
    • InChI Key: QBLXHSSZXNWGCY-UHFFFAOYSA-N
    • SMILES: ClC1=C2C=CN(C2=NC(=N1)Cl)CN1C=CC2=C(N=C(N=C12)Cl)Cl

Computed Properties

  • Exact Mass: 387.937855g/mol
  • Monoisotopic Mass: 385.940805g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 407
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5
  • Topological Polar Surface Area: 61.4?2
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