Basic information
- CAS
4116-22-7- Standard SMILES
CCN(CC)Cc1c(C(=O)O)[nH]c(=O)[nH]c1=O- InChIKey
IDRXZHBUBKYLSV-UHFFFAOYSA-N- Molecular formula
- C10H15N3O4
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.10625597
Names & identifiers
- Preferred name
- 5-[(Diethylamino)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
- IUPAC
- 5-(diethylaminomethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Names & synonyms
5-[(diethylamino)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acidDTXSID401132426AKOS0023918784116-22-75-[(Diethylamino)methyl]-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid
Database identifiers
- CAS
4116-22-7- PubChem CID
- 15212478
- DTXSID
DTXSID401132426
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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