Unesbulin
5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
Molecular Identity
Unesbulin
5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID: 74223469
2D Structure
Properties
C19H13F5N6
Molecular Formula
420.30
Molecular Weight
g/mol
420.1122
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
81.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
586
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)FIsomeric SMILES
SMILES: CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)FSynonyms(20)
1610964-64-1UnesbulinPTC596PTC-596BMI1 inhibitor PTC596Z4HZ70S62QPTC 5965-fluoro-2-(6-fluoro-2-methyl-1H-benzimidazol-1-yl)-N4-[4-(trifluoromethyl)phenyl]-4,6-pyrimidinediamine5-Fluoro-2-(6-fluoro-2-methyl-1H-benzo(d)imidazole-1-yl)-N4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine4,6-PYRIMIDINEDIAMINE, 5-FLUORO-2-(6-FLUORO-2-METHYL-1H-BENZIMIDAZOL-1-YL)-N4-(4-(TRIFLUOROMETHYL)PHENYL)-5-FLUORO-2-(6-FLUORO-2-METHYL-1H-BENZIMIDAZOL-1-YL)-N4-(4-(TRIFLUOROMETHYL)PHENYL)-4,6-PYRIMIDINEDIAMINERefChem:1931235-Fluoro-2-(6-fluoro-2-methyl-1H-benzo[d]imidazol-1-yl)-N4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamineUnesbulin [USAN]Unesbulin (PTC596)
Data from PubChem (NCBI)
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