Basic information
- Standard SMILES
COc1nc(Cl)cc(NCCc2ccc3c(c2)OC(F)(F)O3)n1- InChIKey
UNKDHHZEJCXYRA-UHFFFAOYSA-N- Molecular formula
- C14H12ClF2N3O3
- Average molar mass
- 343.71 g/mol
- Monoisotopic mass
- 343.0535253
Names & identifiers
- Preferred name
- (6-Chloro-2-methoxy-pyrimidin-4-yl)-[2-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-ethyl]-amine
- IUPAC
- 6-chloro-N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-methoxypyrimidin-4-amine
Names & synonyms
(6-chloro-2-methoxy-pyrimidin-4-yl)-[2-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-ethyl]-amineSCHEMBL4514553(6-chloro-2-methoxy-pyrimidin-4-yl)-[2-(2,2-difluoro-benzo[1,3]dioxol-5yl)-ethyl]-amine
Database identifiers
- PubChem CID
- 57636005
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
3 records
Compound notes
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