(6-Chloro-2-methoxy-pyrimidin-4-yl)-[2-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-ethyl]-amine

HCID 57636005

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

Related reactions

3 records

Compound notes

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