5-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
67513-78-4- Standard SMILES
CC1(Cc2c[nH]c(=O)[nH]c2=O)C(=O)NC(=O)NC1=O- InChIKey
SPDCVSOSLMIQHD-UHFFFAOYSA-N- Molecular formula
- C10H10N4O5
- Average molar mass
- 266.21 g/mol
- Monoisotopic mass
- 266.06511943
Names & identifiers
- Preferred name
- 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-1,3-diazinane-2,4,6-trione
Names & synonyms
67513-78-45-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-5-methyl-1,3-diazinane-2,4,6-trioneNSC317325DTXSID40317528NSC-3173255-[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5-methyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
67513-78-4- PubChem CID
- 330252
- DTXSID
DTXSID40317528
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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