3,7-Dimethylisoguanine
PubChem CID: 12205232
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| Compound Synonyms | 3,7-dimethylisoguanine, 6-amino-3,7-dimethylpurin-2-one, CHEBI:69062, 37-Dimethylisoguanine, CHEMBL466775, SCHEMBL23607952, Q27137403 |
|---|---|
| Topological Polar Surface Area | 76.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-amino-3,7-dimethylpurin-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Is Pains | False |
| Molecular Formula | C7H9N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZQHSYUUSIOKEV-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3,7-Dimethylisoguanine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 179.081 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 179.081 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 179.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9546422923076925 |
| Inchi | InChI=1S/C7H9N5O/c1-11-3-9-6-4(11)5(8)10-7(13)12(6)2/h3H,1-2H3,(H2,8,10,13) |
| Smiles | CN1C=NC2=C1C(=NC(=O)N2C)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Constricta (Plant) Rel Props:Source_db:cmaup_ingredients