Cas no 525-77-9 (1H-pteridine-2,4-dione)

1H-pteridine-2,4-dione structure
1H-pteridine-2,4-dione structure
Product Name:1H-pteridine-2,4-dione
CAS No:525-77-9
MF:C6H4N4O2
MW:164.121560096741
CID:937141
PubChem ID:10250
Update Time:2025-04-19

1H-pteridine-2,4-dione Chemical and Physical Properties

Names and Identifiers

    • 1H-pteridine-2,4-dione
    • UNII-260MF9U4WC
    • C03212
    • SCHEMBL321932
    • 2,4-DIHYDROXYPTERIDINE
    • NSC 225113
    • LUZ
    • Lumazin
    • PYRAZINO[2,3-d]PYRIMIDINE-2,4(1H,3H)-DIONE
    • DTXSID0060068
    • LUMAZINE [MI]
    • 2,4(3H,8H)-Pteridinedione
    • SY009609
    • STL373614
    • NSC41801
    • Lumazine (VAN)
    • NSC225113
    • pteridine-2,4-diol
    • NSC-41801
    • pteridinedione
    • 1,2,3,4-tetrahydropteridine-2,4-dione
    • 1H,3H-pteridine-2,4-dione
    • STL556695
    • Lumazine
    • EINECS 207-652-7
    • L-8500
    • Q17189420
    • 525-77-9
    • 487-21-8
    • 2,4(1H,3H)-Pteridinedione
    • BBL037035
    • CHEMBL1234104
    • 4-hydroxy-3H-pteridin-2-one
    • DS-13683
    • InChI=1/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
    • CHEBI:16489
    • 2,3,4,8-tetrahydropteridine-2,4-dione
    • AB-323/25048461
    • MFCD00066250
    • 2,4-Pteridinediol
    • 2,3H)-Pteridinedione
    • A871885
    • 260MF9U4WC
    • BP-11303
    • Pteridinedione, 2,4(1h,3h)-
    • HY-W037619
    • Pyrazino [2,3-d]Pyrimidine- 2,4(1H,3H)-Dione
    • 2,8H)-Pteridinedione
    • Pteridine-2,4-diol monohydrate
    • Oprea1_489423
    • pteridin-2,4-dione
    • AKOS000121322
    • CS-0094050
    • EN300-21263
    • DA-17466
    • Z104494912
    • 2,4-(1H,3H)-Pteridinedione
    • NSC-225113
    • Lumazine, 97%
    • AKOS002337448
    • pteridine-2,4(1H,3H)-dione
    • L0086
    • NS00031820
    • UYEUUXMDVNYCAM-UHFFFAOYSA-
    • L-8520
    • Lumazine; 2,4-dihydroxypteridine; 2,4-pteridinediol
    • AKOS024015255
    • Pteridine-2,4-dione
    • NSC 41801
    • Inchi： 1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
    • InChI Key： UYEUUXMDVNYCAM-UHFFFAOYSA-N
    • SMILES： O=C1C2C(=NC=CN=2)NC(N1)=O

Computed Properties

  • Exact Mass: 164.033
  • Monoisotopic Mass: 164.033
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 230
  • 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
  • Topological Polar Surface Area: 84A^2
  • XLogP3: -1

Experimental Properties

  • Color/Form: Light yellow to ochre powder
  • Density: 1.522
  • Melting Point: 348-349℃
  • Boiling Point: 551.1 °C at 760 mmHg
  • Flash Point: 287.1 °C
  • Refractive Index: 1.601
  • PSA: 91.50000
  • LogP: -0.99360

1H-pteridine-2,4-dione Security Information

  • Storage Condition：Store in tightly closed containers Store in a cool, dry place away from incompatible substances

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