4-piperazin-1-yl-2-thiophen-2-ylpyrimidine

C12H14N4S — CID 82295356

IUPAC4-piperazin-1-yl-2-thiophen-2-ylpyrimidine
SMILESc1csc(-c2nccc(N3CCNCC3)n2)c1
InChIInChI=1S/C12H14N4S/c1-2-10(17-9-1)12-14-4-3-11(15-12)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2
InChIKeyGXNUMJDPTPTLEI-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.61
Rot. Bonds2

About 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine

4-piperazin-1-yl-2-thiophen-2-ylpyrimidine (PubChem CID 82295356) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-2-thiophen-2-ylpyrimidine
PubChem CID82295356
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name4-piperazin-1-yl-2-thiophen-2-ylpyrimidine
SMILESc1csc(-c2nccc(N3CCNCC3)n2)c1
InChIInChI=1S/C12H14N4S/c1-2-10(17-9-1)12-14-4-3-11(15-12)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2
InChIKeyGXNUMJDPTPTLEI-UHFFFAOYSA-N
XLogP1.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine?
The IUPAC name of 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine (CID 82295356) is 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine is c1csc(-c2nccc(N3CCNCC3)n2)c1.
What is the InChIKey of 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine?
The InChIKey is GXNUMJDPTPTLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-10(17-9-1)12-14-4-3-11(15-12)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2.
What are the key properties of 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine?
4-piperazin-1-yl-2-thiophen-2-ylpyrimidine has a molecular weight of 246.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2-thiophen-2-ylpyrimidine is sourced from PubChem (CID 82295356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).