2,4-diamino-5-hydroxy-1H-pyrimidin-6-one
PubChem CID: 157010064
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| Topological Polar Surface Area | 227.0 |
|---|---|
| Hydrogen Bond Donor Count | 8.0 |
| Inchi Key | IYLIKMWNAWRQPO-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,6-Diamino-5-hydroxy-4(1H)-pyrimidinone, 9CI, Divicine |
| Heavy Atom Count | 20.0 |
| Compound Name | 2,4-diamino-5-hydroxy-1H-pyrimidin-6-one |
| Description | 2,4-diamino-5,6-dihydroxypyrimidine is a member of the class of compounds known as hydroxypyrimidines. Hydroxypyrimidines are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 2,4-diamino-5,6-dihydroxypyrimidine can be found in broad bean, which makes 2,4-diamino-5,6-dihydroxypyrimidine a potential biomarker for the consumption of this food product. |
| Exact Mass | 284.098 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.098 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 284.23 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-diamino-5-hydroxy-1H-pyrimidin-6-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/2C4H6N4O2/c2*5-2-1(9)3(10)8-4(6)7-2/h2*9H,(H5,5,6,7,8,10) |
| Smiles | C1(=C(N=C(NC1=O)N)N)O.C1(=C(N=C(NC1=O)N)N)O |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H12N8O4 |
- 1. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Source_db:fooddb_chem_all