Basic information
- Standard SMILES
CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCN(C)C3=O)cn2)CN1c1nc(Cl)ncc1Cl- InChIKey
QKBMOEFSHPEKFV-MOPGFXCFSA-N- Molecular formula
- C27H26Cl2F6N8O
- Average molar mass
- 663.4 g/mol
Names & identifiers
- Preferred name
- 1-(2-{(3,5-bis-trifluoromethyl-benzyl)-[(3S,5R)-1-(2,5-dichloro-pyrimidin-4-yl)-5-ethyl-pyrrolidin-3-yl]-amino}-pyrimidin-5-yl)-3-methyl-imidazolidin-2-one
- IUPAC
- 1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(3S,5R)-1-(2,5-dichloropyrimidin-4-yl)-5-ethylpyrrolidin-3-yl]amino]pyrimidin-5-yl]-3-methylimidazolidin-2-one
Names & synonyms
1-(2-{(3,5-bis-trifluoromethyl-benzyl)-[(3S,5R)-1-(2,5-dichloro-pyrimidin-4-yl)-5-ethyl-pyrrolidin-3-yl]-amino}-pyrimidin-5-yl)-3-methyl-imidazolidin-2-oneSCHEMBL1722073
Database identifiers
- PubChem CID
- 59614357
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 967
Related reactions
1 records
Compound notes
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