TNG348
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(2,2,2-trifluoroethyl)purin-8-imine
Molecular Identity
TNG348
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(2,2,2-trifluoroethyl)purin-8-imine
PubChem CID: 165135384
2D Structure
Properties
C27H23F6N9O
Molecular Formula
603.50
Molecular Weight
g/mol
603.1930
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
13
H-Bond Acceptors
991
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(17)
TNG3482839740-79-1TNG-3482-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(2,2,2-trifluoroethyl)purin-8-imineorb2564618SCHEMBL27031427SCHEMBL29878641GTPL13296EX-A8751NSC855711NSC-855711HY-160700CS-1013676H84504
Data from PubChem (NCBI)
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Drug Network
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