Basic information
- CAS
27653-63-0- Standard SMILES
CCC1(C)C(=O)NC(=O)NC1=O- InChIKey
RCFRTWDBBMGLGK-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914219
Names & identifiers
- Preferred name
- 5-Ethyl-5-methyl-1H,3H,5H-pyrimidin-2,4,6-trione
- IUPAC
- 5-ethyl-5-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-ethyl-5-methyl-1H,3H,5H-pyrimidin-2,4,6-trione
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
27653-63-05-Ethyl-5-methyl-1H,3H,5H-pyrimidin-2,4,6-trioneEINECS 248-593-7NSC 30403NSC-304035-Ethyl-5-methylbarbituric acid5-Methyl-5-ethylbarbituric acid5-ethyl-5-methyl-1,3-diazinane-2,4,6-trioneNSC30403Methylathylbarbitursaure5-Ethyl-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrioneSCHEMBL8348835
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-methyl-
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-5-methyl-CHEMBL1797002DTXSID00182032RCFRTWDBBMGLGK-UHFFFAOYSA-N3LBZ95F292Barbituric acid, 5-ethyl-5-methyl-DS-003574NS00028340
Database identifiers
- CAS
27653-63-0- PubChem CID
- 95705
- DTXSID
DTXSID00182032- ChEMBL
CHEMBL1797002- UNII
- 3LBZ95F292
- EC Number
- 248-593-7
- Nikkaji
- J250.568A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 239
Experimental & physicochemical properties
LogP0.08
Physicochemical properties
- Melting point
- 216 °C · 216.0 °C
- Boiling point
- 299.79 °C · 299.79°C (rough estimate)
- Density
- 1.3173 · 1.3173 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- pka
- 7.91 · 7.91±0.10(Predicted)
- Water Solubility
- 13.63 g/L · 13.63g/L(25 ºC)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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