Molecules/(3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
(3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
(3R,4S)-1-[6-(3-methylsulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
Molecular Identity
(3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
(3R,4S)-1-[6-(3-methylsulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
PubChem CID: 16750059
2D Structure
Properties
C21H19F3N4O2S
Molecular Formula
448.50
Molecular Weight
g/mol
448.1181
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
97.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
724
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=NC=N2)N3CC(C(C3)N)C4=CC(=C(C=C4F)F)FIsomeric SMILES
SMILES: CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=NC=N2)N3C[C@@H]([C@H](C3)N)C4=CC(=C(C=C4F)F)FSynonyms(13)
(3r,4s)-1-{6-[3-(Methylsulfonyl)phenyl]pyrimidin-4-Yl}-4-(2,4,5-Trifluorophenyl)pyrrolidin-3-Amine(3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amineRefChem:401070CHEMBL1232261SCHEMBL23752342BDBM15498DB07666PD005572Pyrrolidine-constrained phenethylamine 29gNS00071182Q27096885(3R,4S)-1-[6-(3-methanesulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amineDLI
Data from PubChem (NCBI)
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Molecular Structure
(3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
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Drug Network
Trials and conditions connected to (3R,4S)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
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