Basic information
- CAS
60703-43-7- Standard SMILES
COC1C(=O)NC(=O)NC1=O- InChIKey
XNRQLKANHYMDGS-UHFFFAOYSA-N- Molecular formula
- C5H6N2O4
- Average molar mass
- 158.11 g/mol
- Monoisotopic mass
- 158.03275668
Names & identifiers
- Preferred name
- 5-Methoxypyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-methoxy-1,3-diazinane-2,4,6-trione
- English name
- 5-Methoxypyrimidine-2,4,6-triol
- Molecular formula
- C5H6N2O4
- Molecular weight
- 158.11
Names & synonyms
5-Methoxypyrimidine-2,4,6(1H,3H,5H)-trioneDB-1399395-Methoxy-2,4,6(1h,3h,5h)-pyrimidinetrioneG74989F7831865-Methoxypyrimidine-2,4,6-triol2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methoxy-6-hydroxy-5-methoxypyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
60703-43-7- PubChem CID
- 15001716
- Nikkaji
- J497.988E
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 4.86 · 4.86±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海宣月科技有限公司15216675652 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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