Basic information
- CAS
1279865-45-0- Standard SMILES
CC(C)N1c2nc(-c3ccnc(Cl)c3)cc(=O)n2CCC1C(F)(F)F- InChIKey
ZNSZXHNJRQZNRB-UHFFFAOYSA-N- Molecular formula
- C16H16ClF3N4O
- Average molar mass
- 372.77 g/mol
- Monoisotopic mass
- 372.0964733
Names & identifiers
- Preferred name
- 4H-Pyrimido[1,2-a]pyrimidin-4-one, 2-(2-chloro-4-pyridinyl)-6,7,8,9-tetrahydro-9-(1-methylethyl)-8-(trifluoromethyl)-
- IUPAC
- 2-(2-chloro-4-pyridinyl)-9-propan-2-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
Names & synonyms
DTXSID5011058321279865-45-04H-Pyrimido[1,2-a]pyrimidin-4-one, 2-(2-chloro-4-pyridinyl)-6,7,8,9-tetrahydro-9-(1-methylethyl)-8-(trifluoromethyl)-
Database identifiers
- CAS
1279865-45-0- PubChem CID
- 165367148
- DTXSID
DTXSID501105832
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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