Ainuovirine
3-(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylbenzonitrile
Molecular Identity
Ainuovirine
3-(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylbenzonitrile
PubChem CID: 25215428
2D Structure
Properties
C18H19N3O3
Molecular Formula
325.40
Molecular Weight
g/mol
325.1426
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
90.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
641
Complexity
SMILES
Canonical SMILES
SMILES: CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)CIsomeric SMILES
SMILES: CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)CSynonyms(20)
AinuovirineKM-0231097628-00-6ACC-0073-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile3-(3-ethyl-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl)-5-methylbenzonitrile3-(3-ethyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-5-methylbenzonitrileAinuovirine [WHO-DD]NMA4LK5WG9SCHEMBL642371orb1741422CHEMBL1081658SCHEMBL12752130SCHEMBL12752132GTPL13766
Data from PubChem (NCBI)
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