4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(3-diethylaminopropoxy)-3-phenyl-, hydrobromide

HCID 87669

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Basic information

CAS: 18472-24-7
Standard SMILES: Br.CCN(CC)CCCOc1nc2cnccn2c(=O)c1-c1ccccc1
InChIKey: NPIDNLZPOJVMRK-UHFFFAOYSA-N
Molecular formula: C20H25BrN4O2
Average molar mass: 433.3 g/mol
Monoisotopic mass: 432.11609

Names & identifiers

Preferred name: 4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(3-diethylaminopropoxy)-3-phenyl-, hydrobromide
IUPAC: 2-[3-(diethylamino)propoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one;hydrobromide

Names & synonyms

18472-24-72-(3-Diethylaminopropoxy)-3-phenyl-4H-pyrazino(1,2-a)pyrimidin-4-one hydrobromide4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(3-diethylaminopropoxy)-3-phenyl-, hydrobromideRefChem:297680DTXSID509398912-[3-(Diethylamino)propoxy]-3-phenyl-4H-pyrazino[1,2-a]pyrimidin-4-one--hydrogen bromide (1/1)

Database identifiers

CAS: 18472-24-7
PubChem CID: 87669
DTXSID: DTXSID50939891

Properties

Computed structural properties

Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 626

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