4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine

C18H17ClN4S — CID 53326403

IUPAC4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine
SMILESClc1ccc(-c2ccc(-c3ccnc(N4CCNCC4)n3)s2)cc1
InChIInChI=1S/C18H17ClN4S/c19-14-3-1-13(2-4-14)16-5-6-17(24-16)15-7-8-21-18(22-15)23-11-9-20-10-12-23/h1-8,20H,9-12H2
InChIKeyBSNUROMRGPNVJY-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.94
Rot. Bonds3

About 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine

4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine (PubChem CID 53326403) has the molecular formula C18H17ClN4S and a molecular weight of 356.88 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine
PubChem CID53326403
Molecular FormulaC18H17ClN4S
Molecular Weight356.88 g/mol
Exact Mass356.09
IUPAC Name4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine
SMILESClc1ccc(-c2ccc(-c3ccnc(N4CCNCC4)n3)s2)cc1
InChIInChI=1S/C18H17ClN4S/c19-14-3-1-13(2-4-14)16-5-6-17(24-16)15-7-8-21-18(22-15)23-11-9-20-10-12-23/h1-8,20H,9-12H2
InChIKeyBSNUROMRGPNVJY-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine (CID 53326403) is 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine is Clc1ccc(-c2ccc(-c3ccnc(N4CCNCC4)n3)s2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine?
The InChIKey is BSNUROMRGPNVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4S/c19-14-3-1-13(2-4-14)16-5-6-17(24-16)15-7-8-21-18(22-15)23-11-9-20-10-12-23/h1-8,20H,9-12H2.
What are the key properties of 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine?
4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine has a molecular weight of 356.88 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)thiophen-2-yl]-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 53326403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).