2-Amino-4H-purin-6-ol
PubChem CID: 23644321
Connections displayed (default: 10).
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| Compound Synonyms | 2-Amino-4H-purin-6-ol, 914452-02-1, BDBM626104 |
|---|---|
| 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 | 2-amino-1,4-dihydropurin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | -1.6 |
| Molecular Formula | C5H5N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVSXEQQNZWZVJD-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.705 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.698 |
| Compound Name | 2-Amino-4H-purin-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.049 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.049 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 151.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.008399800000000068 |
| Inchi | InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1,3H,(H3,6,9,10,11) |
| Smiles | C1=NC2C(=N1)C(=O)NC(=N2)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Trichosanthes Cucumeroides (Plant) Rel Props:Source_db:cmaup_ingredients