4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(3-dimethylaminopropoxy)-3-phenyl-, hydrobromide
Basic information
- CAS
63680-85-3- Standard SMILES
Br.CN(C)CCCOc1nc2cnccn2c(=O)c1-c1ccccc1- InChIKey
UOZFBSLPCWAIEW-UHFFFAOYSA-N- Molecular formula
- C18H21BrN4O2
- Average molar mass
- 405.3 g/mol
- Monoisotopic mass
- 404.08479
Names & identifiers
- Preferred name
- 4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(3-dimethylaminopropoxy)-3-phenyl-, hydrobromide
- IUPAC
- 2-[3-(dimethylamino)propoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one;hydrobromide
Names & synonyms
2-(3-Dimethylaminopropoxy)-3-phenyl-4H-pyrazino(1,2-a)pyrimidin-4-one hydrobromide63680-85-34H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(3-dimethylaminopropoxy)-3-phenyl-, hydrobromideRefChem:297681DTXSID809799672-[3-(Dimethylamino)propoxy]-3-phenyl-4H-pyrazino[1,2-a]pyrimidin-4-one--hydrogen bromide (1/1)
Database identifiers
- CAS
63680-85-3- PubChem CID
- 114017
- DTXSID
DTXSID80979967
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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