Cas no 172981-86-1 (2-(piperazin-1-yl)methylpyrimidine)

2-(piperazin-1-yl)methylpyrimidine structure
172981-86-1 structure
Product Name:2-(piperazin-1-yl)methylpyrimidine
CAS No:172981-86-1
MF:C9H14N4
MW:178.234261035919
MDL:MFCD16848008
CID:905760
PubChem ID:45099697
Update Time:2025-04-19

2-(piperazin-1-yl)methylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-(Piperazin-1-ylmethyl)pyrimidine
    • Pyrimidine, 2-(1-piperazinylmethyl)- (9CI)
    • 2-(piperazin-1-yl)methylpyrimidine
    • CS-0270846
    • 2-[(Piperazin-1-yl)methyl]pyrimidine
    • 172981-86-1
    • EN300-879219
    • SCHEMBL7508914
    • AKOS011993420
    • DTXSID00668063
    • MDL: MFCD16848008
    • Inchi: 1S/C9H14N4/c1-2-11-9(12-3-1)8-13-6-4-10-5-7-13/h1-3,10H,4-8H2
    • InChI Key: XGNSNCQPISTGQW-UHFFFAOYSA-N
    • SMILES: N1(CC2N=CC=CN=2)CCNCC1

Computed Properties

  • Exact Mass: 178.12202
  • Monoisotopic Mass: 178.122
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 139
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.6
  • Topological Polar Surface Area: 41A^2

Experimental Properties

  • PSA: 41.05

2-(piperazin-1-yl)methylpyrimidine Pricemore >>

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