CHEMBL4859234
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
Molecular Identity
CHEMBL4859234
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID: 156768862
2D Structure
Properties
C21H21ClF3N7
Molecular Formula
463.90
Molecular Weight
g/mol
463.1499
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
69.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
590
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(8)
CHEMBL4859234SCHEMBL24842815SCHEMBL29816641GTPL13959HSK31858BDBM50573801compound 54 [PMID: 34374541]5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
Data from PubChem (NCBI)
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