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Chemical structure of Dapivirine

GC14452

Dapivirine

Also listed as Dapivirine (TMC120)

Dapivirine (TMC120) (TMC120), the prototype of diarylpyrimidines (DAPY), is an orally active and nonnucleoside reverse transcriptase inhibitor (NRTI)

ChemicalCAS244767-67-7MW329.4FormulaC20H19N5
CAS number
244767-67-7
Molecular weight
329.4
Formula
C20H19N5
Solubility
≥ 13·5mg/mL in DMSO
InChIKey
ILAYIAGXTHKHNT-UHFFFAOYSA-N
Catalogue number
GC14452
Brand
GLPBIO
Computed properties PubChem CID 214347 · XLogP 4.8 · TPSA 73.6 Ų · H-bond donors 2
XLogP
4.8
TPSA
73.6 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

SMILES CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C

Computed descriptors from PubChem (CID 214347), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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