Msx-122
N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine
Molecular Identity
Msx-122
N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amine
PubChem CID: 11687907
2D Structure
Properties
C16H16N6
Molecular Formula
292.34
Molecular Weight
g/mol
292.1436
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
75.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
263
Complexity
SMILES
Canonical SMILES
SMILES: C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3Isomeric SMILES
SMILES: C1=CN=C(N=C1)NCC2=CC=C(C=C2)CNC3=NC=CC=N3Synonyms(20)
MSX-122897657-95-3MSX 12269D634Q702RefChem:159951CXCR4 Inhibitor Q-122Q 122Q-122N-((4-(((pyrimidin-2-yl)amino)methyl)phenyl)methyl)pyrimidin-2-amineN,N'-(1,4-phenylenebis(methylene))bis(pyrimidin-2-amine)MSX122MFCD18803971N-[[4-[(pyrimidin-2-ylamino)methyl]phenyl]methyl]pyrimidin-2-amineMetastatixUNII-69D634Q702
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Msx-122
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