Cas no 1458-19-1 (3,5-Diamino-pyrazine-2-carboxylic acid methyl ester)

3,5-Diamino-pyrazine-2-carboxylic acid methyl ester structure
1458-19-1 structure
Product Name:3,5-Diamino-pyrazine-2-carboxylic acid methyl ester
CAS No:1458-19-1
MF:C6H8N4O2
MW:168.1533203125
MDL:MFCD11616136
CID:1106285
PubChem ID:15148126
Update Time:2025-04-20

3,5-Diamino-pyrazine-2-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 3,5-diamino-2-Pyrazinecarboxylic acid, 3,5-diamino-, methyl ester
    • Methyl 3,5-diaminopyrazine-2-carboxylate
    • 3,5-Diamino-pyrazine-2-carboxylic acid methyl ester
    • AKOS006315236
    • AB64401
    • 1458-19-1
    • SCHEMBL1680511
    • methyl 3,5-diaminopyrazinoate
    • C90405
    • DTXSID20569063
    • DB-351924
    • BAA45819
    • LMGVITOFKPGSPZ-UHFFFAOYSA-N
    • MFCD11616136
    • METHYL3,5-DIAMINOPYRAZINE-2-CARBOXYLATE
    • CS-0341572
    • 2-Pyrazinecarboxylic acid, 3,5-diamino-, methyl ester
    • MDL: MFCD11616136
    • Inchi: 1S/C6H8N4O2/c1-12-6(11)4-5(8)10-3(7)2-9-4/h2H,1H3,(H4,7,8,10)
    • InChI Key: LMGVITOFKPGSPZ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C(N)=NC(=CN=1)N)=O

Computed Properties

  • Exact Mass: 168.06484
  • Monoisotopic Mass: 168.06472551g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 175
  • 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: -0.2
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 104.12

3,5-Diamino-pyrazine-2-carboxylic acid methyl ester Pricemore >>

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