Basic information
- CAS
918662-98-3- Standard SMILES
N#Cc1cnc(NC2CCCCC2)nc1NC(=O)c1ccccc1- InChIKey
ORVPYNKOKJOWKF-UHFFFAOYSA-N- Molecular formula
- C18H19N5O
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15896025
Names & identifiers
- Preferred name
- N-(5-Cyano-2-(cyclohexylamino)pyrimidin-4-yl)benzamide
- IUPAC
- N-[5-cyano-2-(cyclohexylamino)pyrimidin-4-yl]benzamide
Names & synonyms
918662-98-3N-(5-Cyano-2-(cyclohexylamino)pyrimidin-4-yl)benzamideN-[5-Cyano-2-(cyclohexylamino)pyrimidin-4-yl]benzamideDTXSID60582155
Database identifiers
- CAS
918662-98-3- PubChem CID
- 16092000
- DTXSID
DTXSID60582155
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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