N-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)benzamide
Basic information
- CAS
633296-52-3- Standard SMILES
Cn1c(NC(=O)c2ccccc2)cc(=O)n(C)c1=O- InChIKey
QXMBGXAQTOHKTL-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- N-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)benzamide
- IUPAC
- N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
- English name
- Benzamide, N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)- (9CI)
- Molecular formula
- C13H13N3O3
- Molecular weight
- 259.26
Names & synonyms
633296-52-3MLS000103598N-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)benzamideCHEMBL1873395DTXSID80366712HMS2249D07SMR000018873DB-213497SR-01000015289SR-01000015289-1Z86534907Benzamide, N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-(9ci)
Show more names
Benzamide, N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-Benzamide, N-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)- (9CI)
Database identifiers
- CAS
633296-52-3- PubChem CID
- 2148476
- DTXSID
DTXSID80366712- ChEMBL
CHEMBL1873395
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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