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

C13H16N4S — CID 10753846

IUPAC2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine
SMILESCN1CCN(c2nccc(-c3ccsc3)n2)CC1
InChIInChI=1S/C13H16N4S/c1-16-5-7-17(8-6-16)13-14-4-2-12(15-13)11-3-9-18-10-11/h2-4,9-10H,5-8H2,1H3
InChIKeyURRJUWWWHDXVLD-UHFFFAOYSA-N
MW260.37 g/mol
LogP1.96
Rot. Bonds2

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

2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine (PubChem CID 10753846) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine
PubChem CID10753846
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine
SMILESCN1CCN(c2nccc(-c3ccsc3)n2)CC1
InChIInChI=1S/C13H16N4S/c1-16-5-7-17(8-6-16)13-14-4-2-12(15-13)11-3-9-18-10-11/h2-4,9-10H,5-8H2,1H3
InChIKeyURRJUWWWHDXVLD-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine (CID 10753846) is 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine is CN1CCN(c2nccc(-c3ccsc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine?
The InChIKey is URRJUWWWHDXVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-16-5-7-17(8-6-16)13-14-4-2-12(15-13)11-3-9-18-10-11/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine?
2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine has a molecular weight of 260.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-thiophen-3-ylpyrimidine is sourced from PubChem (CID 10753846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).