Basic information
- CAS
104154-95-2- Standard SMILES
CC1CC/C(=N\Nc2ccccc2)c2nccc(=O)n21- InChIKey
MCWSWZXZJSEYCI-QGOAFFKASA-N- Molecular formula
- C15H16N4O
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.13241115
Names & identifiers
- Preferred name
- 4H-Pyrido[1,2-a]pyrimidine-4,9(6H)-dione, 7,8-dihydro-6-methyl-, 9-(phenylhydrazone), (E)-
- IUPAC
- (9E)-6-methyl-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
Names & synonyms
CHEMBL14693SCHEMBL11091583DTXSID101122371104154-95-24H-Pyrido[1,2-a]pyrimidine-4,9(6H)-dione, 7,8-dihydro-6-methyl-, 9-(phenylhydrazone), (E)-(9E)-6-Methyl-9-(2-phenylhydrazinylidene)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- CAS
104154-95-2- PubChem CID
- 12823329
- DTXSID
DTXSID101122371- ChEMBL
CHEMBL14693
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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