5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride

C24H28ClF3N4O3S — CID 70202347

About 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride

5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride (PubChem CID 70202347) has the molecular formula C24H28ClF3N4O3S and a molecular weight of 545.03 g/mol. Its IUPAC name is 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
• PubChem CID: 70202347
• Molecular Formula: C24H28ClF3N4O3S
• Molecular Weight: 545.03 g/mol
• Exact Mass: 544.15
• IUPAC Name: 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
• SMILES: Cc1cn(-c2cccs2)c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O.Cl
• InChI: InChI=1S/C24H27F3N4O3S.ClH/c1-18-16-31(21-8-4-15-35-21)23(33)30(22(18)32)10-5-9-28-11-13-29(14-12-28)19-6-2-3-7-20(19)34-17-24(25,26)27;/h2-4,6-8,15-16H,5,9-14,17H2,1H3;1H
• InChIKey: IBIMDCIRGIYPFX-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 59.71 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.03
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride?

The IUPAC name of 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride (CID 70202347) is 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride.

What is the SMILES notation for 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride?

The canonical SMILES for 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride is Cc1cn(-c2cccs2)c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O.Cl.

What is the InChIKey of 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride?

The InChIKey is IBIMDCIRGIYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3S.ClH/c1-18-16-31(21-8-4-15-35-21)23(33)30(22(18)32)10-5-9-28-11-13-29(14-12-28)19-6-2-3-7-20(19)34-17-24(25,26)27;/h2-4,6-8,15-16H,5,9-14,17H2,1H3;1H.

What are the key properties of 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride?

5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 545.03 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-thiophen-2-yl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 70202347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).