Basic information
- CAS
796880-86-9- Standard SMILES
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)CC1- InChIKey
AZELOUIHKCQVBG-UHFFFAOYSA-N- Molecular formula
- C19H20N6O
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16985928
Names & identifiers
- Preferred name
- 2-[[2-(4-Ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]propanedinitrile
- IUPAC
- 2-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]propanedinitrile
Names & synonyms
{[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}propanedinitrile2-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]propanedinitrile796880-86-9MLS001165087CHEMBL1394651DTXSID801323580HMS2866H04STK881410AKOS005180461SMR0005404182-((2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)malononitrile
Database identifiers
- CAS
796880-86-9- PubChem CID
- 950424
- DTXSID
DTXSID801323580- ChEMBL
CHEMBL1394651
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 859
Experimental & physicochemical properties
Solubility51.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…