Basic information
- Standard SMILES
NC(=O)[C@@H]1CCCC[C@@H]1Nc1nc(Cl)ncc1Cl- InChIKey
DRIWQFJEFHGMFU-SVRRBLITSA-N- Molecular formula
- C11H14Cl2N4O
- Average molar mass
- 289.16 g/mol
- Monoisotopic mass
- 288.0544665
Names & identifiers
- Preferred name
- (+/-)-cis-2-(2,5-Dichloropyrimidin-4-ylamino)cyclohexanecarboxamide
- IUPAC
- cis-(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
Names & synonyms
SCHEMBL3104876DRIWQFJEFHGMFU-SVRRBLITSA-N(+/-)-cis-2-(2,5-dichloropyrimidin-4-ylamino)cyclohexanecarboxamide
Database identifiers
- PubChem CID
- 86647791
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
1 records
Compound notes
Loading…