Dihydro-6-imino-1,3-dimethyluracil
Basic information
- CAS
17743-04-3- Standard SMILES
CN1C(=N)CC(=O)N(C)C1=O- InChIKey
HBFKTNIVBGBQSS-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- Dihydro-6-imino-1,3-dimethyluracil
- IUPAC
- 6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione
- English name
- dihydro-6-imino-1,3-dimethyluracil
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
17743-04-3Dihydro-6-imino-1,3-dimethyluracil6-imino-1,3-dimethyl-1,3-diazinane-2,4-dioneEINECS 241-736-4SCHEMBL32965836-imino-1,3-dimethyldihydropyrimidine-2,4(1H,3H)-dioneDTXSID50863920HBFKTNIVBGBQSS-UHFFFAOYSA-NNS00052760Doxofylline Impurity 271,3-dimethyl-6-iminouracil2,4(1H,3H)-Pyrimidinedione, dihydro-6-imino-1,3-dimethyl-
Show more names
5,6-Dihydro-6-imino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
17743-04-3- PubChem CID
- 87278
- DTXSID
DTXSID50863920- EC Number
- 241-736-4
- Nikkaji
- J287.142D
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 204.7 · 204.7±23.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 1.96 · 1.96±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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