This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

2-[3-[(6-Amino-2-methyl-4-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol

PubChem CID: 44134965

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms CHEBI:95221, SBI-0206808.P001, AB01563390_01, Q27167043, 2-[3-[(6-amino-2-methyl-4-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol
Topological Polar Surface Area 104.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 268.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-[3-[(6-amino-2-methylpyrimidin-4-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
Nih Violation False
Prediction Hob 1.0
Xlogp 1.1
Is Pains False
Molecular Formula C12H17N4OS+
Prediction Swissadme 1.0
Inchi Key OIXICAMXHDUNAS-UHFFFAOYSA-N
Fcsp3 0.4166666666666667
Rotatable Bond Count 4.0
Compound Name 2-[3-[(6-Amino-2-methyl-4-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol
Prediction Hob Swissadme 1.0
Exact Mass 265.112
Formal Charge 1.0
Brenk Violation True
Monoisotopic Mass 265.112
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 265.36
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.341266622222222
Inchi InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-12(13)15-9(2)14-10/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
Smiles CC1=C(SC=[N+]1CC2=CC(=NC(=N2)C)N)CCO
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Celosia Cristata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Malus Pumila (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Onobrychis Viciifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Phragmites Australis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Taraxacum Mongolicum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Vitex Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients
Back to Browse   Back to Home