Simpinicline
5-[(E)-2-[(3R)-pyrrolidin-3-yl]ethenyl]pyrimidine
Molecular Identity
Simpinicline
5-[(E)-2-[(3R)-pyrrolidin-3-yl]ethenyl]pyrimidine
PubChem CID: 11528435
2D Structure
Properties
C10H13N3
Molecular Formula
175.23
Molecular Weight
g/mol
175.1109
Exact Mass
Da
0.6
XLogP
Drug-like (Lipinski: < 5)
37.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
173
Complexity
SMILES
Canonical SMILES
SMILES: C1CNCC1C=CC2=CN=CN=C2Isomeric SMILES
SMILES: C1CNC[C@H]1/C=C/C2=CN=CN=C2Synonyms(20)
Simpinicline753015-44-0Simpinicline [USAN]OC-02TC-649909936A4QSNTC6499SIMPINICLINE [INN]Pyrimidine, 5-((1E)-2-(3R)-3-pyrrolidinylethenyl)-RefChem:183092UNII-09936A4QSNWHO 113595-((E)-2-((3R)-pyrrolidin-3-yl)ethenyl)pyrimidine5-[(E)-2-[(3R)-pyrrolidin-3-yl]ethenyl]pyrimidineorb1690287
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Simpinicline
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