6-Amino-5,7-dihydro-2H-purin-2-one
PubChem CID: 410436
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| Compound Synonyms | DTXSID30863160, 6-Amino-5,7-dihydro-2H-purin-2-one |
|---|---|
| Topological Polar Surface Area | 92.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-amino-3,5-dihydropurin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.6 |
| Molecular Formula | C5H5N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QOGAIYCCJSTWCO-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.797 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.731 |
| Compound Name | 6-Amino-5,7-dihydro-2H-purin-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.049 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.049 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 151.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.20999979999999985 |
| Inchi | InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1-2H,(H3,6,7,8,9,10,11) |
| Smiles | C1=NC2C(=NC(=O)NC2=N1)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Croton Tiglium (Plant) Rel Props:Source_db:cmaup_ingredients