Dapivirine
4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
Molecular Identity
Dapivirine
4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
PubChem CID: 214347
2D Structure
Properties
C20H19N5
Molecular Formula
329.40
Molecular Weight
g/mol
329.1640
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
73.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
452
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)CIsomeric SMILES
SMILES: CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)CSynonyms(20)
Dapivirine244767-67-7TMC-120TMC120dapivirinumTMC 120R 147681R-147681DapivirinaTCN4MG2VXSGel-02AIDS-1052934-({4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrileDTXSID401792444-((4-((2,4,6-Trimethylphenyl)amino)pyrimidin-2-yl)amino)benzonitrile
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dapivirine
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