2-chloro-N4-(3,4-dimethoxyphenyl)-5-fluoro-4-pyrimidineamine

HCID 22060593
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Basic information

Standard SMILES
COc1ccc(Nc2nc(Cl)ncc2F)cc1OC
InChIKey
QTHPXUUBPASCNQ-UHFFFAOYSA-N
Molecular formula
C12H11ClFN3O2
Average molar mass
283.68 g/mol

Names & identifiers

Preferred name
2-chloro-N4-(3,4-dimethoxyphenyl)-5-fluoro-4-pyrimidineamine
IUPAC
2-chloro-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidin-4-amine

Names & synonyms

575472-81-02-chloro-N-(3,4-dimethoxyphenyl)-5-fluoropyrimidin-4-amine2-chloro-N4-(3,4-dimethoxyphenyl)-5-fluoro-4-pyrimidineamineSCHEMBL653516QTHPXUUBPASCNQ-UHFFFAOYSA-N4-Pyrimidinamine, 2-chloro-N-(3,4-dimethoxyphenyl)-5-fluoro-AKOS017631536

Database identifiers

PubChem CID
22060593

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
56.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

Related reactions

49 records
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Linked notes

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