2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine

C17H18N4S2 — CID 10712354

IUPAC2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine
SMILESCN1CCN(c2nc(-c3ccsc3)cc(-c3cccs3)n2)CC1
InChIInChI=1S/C17H18N4S2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3
InChIKeyLTAXYRNNPCTBJP-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine

2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine (PubChem CID 10712354) has the molecular formula C17H18N4S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine
PubChem CID10712354
Molecular FormulaC17H18N4S2
Molecular Weight342.49 g/mol
Exact Mass342.10
IUPAC Name2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine
SMILESCN1CCN(c2nc(-c3ccsc3)cc(-c3cccs3)n2)CC1
InChIInChI=1S/C17H18N4S2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3
InChIKeyLTAXYRNNPCTBJP-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine (CID 10712354) is 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine is CN1CCN(c2nc(-c3ccsc3)cc(-c3cccs3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine?
The InChIKey is LTAXYRNNPCTBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine?
2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine has a molecular weight of 342.49 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-6-thiophen-3-ylpyrimidine is sourced from PubChem (CID 10712354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).