chempirical

Lumazine

C6H4N4O2CAS 487-21-8164.12 g/mol

Open in Covalent MOL file
HONOHNNN
Phenol

Properties

Molecular formula
C6H4N4O2
Molar mass
164.12 g/mol
Exact mass
164.0334 Da
Melting point
348.5 °C
logP
-0.17Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
0

Identifiers

CAS number
487-21-8
SMILES
Oc1nc(O)c2nccnc2n1
InChIKey
UYEUUXMDVNYCAM-UHFFFAOYSA-N
InChI
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 2,4(1H,3H)-Pteridinedione
  • 2,4(3H,8H)-Pteridinedione
  • 2,4-Pteridinediol
  • 2,4-Dihydroxypteridine
  • Pteridine-2,4-dione
  • Lumazin
  • NSC 225113
  • NSC 41801
  • 1,2,3,4-Tetrahydropteridine-2,4-dione
  • 2,3,4,8-Tetrahydropteridine-2,4-dione
  • 1H-Pteridine-2,4-dione

Work with Lumazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lumichrome1086-80-246 % similar Xanthine69-89-645 % similar 7-Methylxanthine552-62-542 % similar Pterin2236-60-439 % similar 5-Hydroxy-2,4(1H,3H)-pyrimidinedione20636-41-339 % similar 3H-1,2,3-Triazolo[4,5-D]pyrimidine-5,7(4H,6H)-dione1468-26-438 % similar Uric acid69-93-238 % similar 5-Chlorouracil1820-81-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Nitrobenzotriazole2338-12-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook