5-Hydroxy-6-methyl-2,4(1H,3H)-pyrimidinedione
Basic information
- CAS
7417-28-9- Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1O- InChIKey
CMRSBOGQMSQPFW-UHFFFAOYSA-N- Molecular formula
- C5H6N2O3
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.03784206
Overview
structure
Names & identifiers
- Preferred name
- 5-Hydroxy-6-methyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-hydroxy-6-methyl-1H-pyrimidine-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione, 5-hydroxy-6-methyl- (9CI)
- Molecular formula
- C5H6N2O3
- Molecular weight
- 142.11
Names & synonyms
Oxymethacil7417-28-9Oxymetacil5-Hydroxy-6-methyluraciloxymethyluracilQZD7SUW02T2,4(1H,3H)-Pyrimidinedione, 5-hydroxy-6-methyl-NSC-70449DTXSID402251395-HYDROXY-6-METHYL-2,4(1H,3H)-PYRIMIDINEDIONERefChem:169054DTXCID90147630
Show more names
2,4(1H,3H)-Pyrimidinedione, 5-hydroxy-6-methyl- (9CI)5-hydroxy-6-methylpyrimidine-2,4(1H,3H)-dione(SALTDATA: FREE)
5-hydroxy-6-methylpyrimidine-2,4(1h,3h)-dione6-methylpyrimidine-2,4,5-triol5-Hydroxy-6-methyl-1H-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione,5-hydroxy-6-methyl-MFCD03807212NSC 70449UNII-QZD7SUW02TOprea1_437114
Database identifiers
- CAS
7417-28-9- PubChem CID
- 96369
- DTXSID
DTXSID40225139- UNII
- QZD7SUW02T
- Nikkaji
- J544.039D
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- pka
- 9.04 · 9.04±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 SUW02T · QZD7SUW02T
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P271-P261-P270-P264-P304-P340-P312-P301-P330-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
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
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P271-P261-P270-P264-P304-P340-P312-P301-P330-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents counteracting or neutralizing the action of POISONS.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
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Compound notes
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