5-Methoxypyrimidin-4-ol
PubChem CID: 581046
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| Compound Synonyms | 5-Methoxypyrimidin-4-ol, 5-Methoxypyrimidin-4(3H)-one, 71133-25-0, 71133-22-7, 5-Methoxy-pyrimidin-4-ol, 5-methoxy-1H-pyrimidin-6-one, 5-methoxy-4(3H)-pyrimidinone, 5-methoxy-3H-pyrimidin-4-one, 4-Pyrimidinol, 5-methoxy-, 4-HYDROXY-5-METHOXYPYRIMIDINE, NoName_630, 4(1H)-Pyrimidinone, 5-methoxy- (9CI), 4(3H)-Pyrimidinone, 5-methoxy- (9CI), 5-Methoxy-4-pyrimidinol #, SCHEMBL6168921, SCHEMBL8983616, DTXSID60901504, pyrimidine, 4-hydroxy-5-methoxy-, AKOS006375238, AKOS015969534, AKOS016005988, 4(3H)-Pyrimidinone,5-methoxy-(9ci), 5-methoxy-1,4-dihydropyrimidin-4-one, 5-METHOXY-1H-PYRIMIDIN-4-ONE, GS-5689, SB38357, SB38412, SB56978, DB-350066, DB-350067, DB-350068, CS-0341562, EN300-98353, H10327, AC-907/30003042, AE-641/00638050, F2147-1084 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Imidazole alkaloids |
| Deep Smiles | COccnc[nH]c6=O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Diazines |
| Scaffold Graph Node Level | OC1CCNCN1 |
| Classyfire Subclass | Pyrimidines and pyrimidine derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-1H-pyrimidin-6-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H6N2O2 |
| Scaffold Graph Node Bond Level | O=c1ccnc[nH]1 |
| Inchi Key | WOKGGVGWBXBJPK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4-hydroxy-5-methoxy pyrimidine |
| Esol Class | Very soluble |
| Functional Groups | c=O, cOC, c[nH]c, cnc |
| Compound Name | 5-Methoxypyrimidin-4-ol |
| Exact Mass | 126.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 126.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H6N2O2/c1-9-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8) |
| Smiles | COC1=CN=CNC1=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Histidine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1872