Basic information
- CAS
7358-61-4- Standard SMILES
CC1C(=O)N(C)C(=O)N(C)C1=O- InChIKey
OTSKHUNLOQPIGN-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914218
Names & identifiers
- Preferred name
- 1,3,5-Trimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
- English name
- 1,3,5-trimethylbarbituric acid
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
7358-61-4Barbituric acid, 1,3,5-trimethyl-1,3,5-Trimethyl-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID80223775RefChem:1052592DTXCID10146266230-892-91,3,5-Trimethylbarbituric acid1,3,5-trimethyl-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3,5-trimethyl-EINECS 230-892-9NSC 120716
Show more names
BRN 0149485NSC120716SCHEMBL2006742,4,6(1H,3H,5H)-Pyrimidinetrione,1,3,5-trimethyl-Barbituric acid,3,5-trimethyl-AKOS006277908NSC-120716DS-003566
Database identifiers
- CAS
7358-61-4- PubChem CID
- 81820
- DTXSID
DTXSID80223775- EC Number
- 230-892-9
- Nikkaji
- J54.597J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 237
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
1 records
Compound notes
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