Completing data — usually done within a minute
Basic information
- CAS
70381-39-4- Standard SMILES
CCc1c(C)nc2cccc(C)n2c1=O.Cl- InChIKey
AQFVIWUNSPLZSA-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O
- Average molar mass
- 238.71 g/mol
- Monoisotopic mass
- 238.08729078
Names & identifiers
- Preferred name
- 4H-Pyrido(1,2-a)pyrimidin-4-one, 2,6-dimethyl-3-ethyl-, monohydrochloride
- IUPAC
- 3-ethyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
Names & synonyms
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,6-dimethyl-3-ethyl-, monohydrochloride70381-39-4DTXSID402206492,6-Dimethyl-3-ethyl-4-oxo-4H-pyrido(1,2-a)pyrimidine hydrochloride2,6-Dimethyl-3-ethyl-4H-pyrido(1,2-a)pyrimidin-4-one monohydrochloride2,6-dimethyl-3-ethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine hydrochlorideRefChem:297733DTXCID20143140CHEMBL543537SCHEMBL10944564AQFVIWUNSPLZSA-UHFFFAOYSA-N3-Ethyl-2,6-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one--hydrogen chloride (1/1)
Database identifiers
- CAS
70381-39-4- PubChem CID
- 155373
- DTXSID
DTXSID40220649- ChEMBL
CHEMBL543537
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
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