Basic information
- Standard SMILES
CNc1nc(Cl)nc2c1CCC2c1ccc(C(F)(F)F)nc1- InChIKey
FQUGDHYRJDVUNQ-UHFFFAOYSA-N- Molecular formula
- C14H12ClF3N4
- Average molar mass
- 328.72 g/mol
- Monoisotopic mass
- 328.0702586
Names & identifiers
- Preferred name
- 2-chloro-N-methyl-7-(6-(trifluoromethyl)pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
- IUPAC
- 2-chloro-N-methyl-7-[6-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
Names & synonyms
2-chloro-N-methyl-7-(6-(trifluoromethyl)pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amineSCHEMBL512837
Database identifiers
- PubChem CID
- 58075615
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
3 records
Linked notes
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