Basic information
- CAS
16867-32-6- Standard SMILES
CCc1c(C)nc2cc(C)cc(C)n2c1=O- InChIKey
DFNXHNBRQIABNY-UHFFFAOYSA-N- Molecular formula
- C13H16N2O
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.12626314
Names & identifiers
- Preferred name
- 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-2,6,8-trimethyl-
- IUPAC
- 3-ethyl-2,6,8-trimethylpyrido[1,2-a]pyrimidin-4-one
Names & synonyms
16867-32-63-Ethyl-2,6,8-trimethyl-4H-pyrido[1,2-a]pyrimidin-4-oneSCHEMBL11359916DTXSID403888744H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-2,6,8-trimethyl-
Database identifiers
- CAS
16867-32-6- PubChem CID
- 3053751
- DTXSID
DTXSID40388874
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 478
Experimental & physicochemical properties
LogP1.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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