Lumichrome

C12H10N4O2CAS 1086-80-2242.24 g/mol

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NNOHNOHN
Phenol

Properties

Molecular formula
C12H10N4O2
Molar mass
242.24 g/mol
Exact mass
242.0804 Da
Melting point
above 300 °C
logP
1.60Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1086-80-2
SMILES
Cc1cc2nc3nc(O)nc(O)c3nc2cc1C
InChIKey
ZJTJUVIJVLLGSP-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)

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Names and synonyms

7 names
  • Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-
  • Alloxazine, 7,8-dimethyl-
  • 7,8-Dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
  • 7,8-Dimethylalloxazine
  • 7,8-Dimethylisoalloxazine
  • Riboflavin lumichrome
  • NSC 96911

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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

Lumazine487-21-846 % similar Thymine65-71-443 % similar 7-Methylxanthine552-62-537 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-236 % similar 5,6-Dimethyluracil26305-13-536 % similar Xanthine69-89-636 % similar 6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione28888-44-036 % similar 2,6-Dihydroxy-3,4-dimethylpyridine84540-47-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-4′-nitroazobenzene730-40-5

Elsewhere

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