4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C18H19ClN4OS — CID 2537908

IUPAC4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESClc1ccc(OCCN2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H19ClN4OS/c19-14-1-3-15(4-2-14)24-11-10-22-6-8-23(9-7-22)17-16-5-12-25-18(16)21-13-20-17/h1-5,12-13H,6-11H2
InChIKeyNYPQKNLHCFKMRM-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.55
Rot. Bonds5

About 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 2537908) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID2537908
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESClc1ccc(OCCN2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H19ClN4OS/c19-14-1-3-15(4-2-14)24-11-10-22-6-8-23(9-7-22)17-16-5-12-25-18(16)21-13-20-17/h1-5,12-13H,6-11H2
InChIKeyNYPQKNLHCFKMRM-UHFFFAOYSA-N
XLogP3.55
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-Dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 1999904
1-[4-(2-Aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46231725
1-[4-(2-Aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 46231726
1-[4-[2-Amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 50941667
4-{4-[2-(4-Chlorophenoxy)ethyl]-1-piperazinyl}-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1299127
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2082240
1-[5-(4-Chlorophenyl)thieno[2,3-D]pyrimidin-4-YL]-4-(4-methoxyphenyl)piperazine
CID 2200567
4-(3-Chlorobenzyloxy)-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 46228423
1-[4-(2-Amino-6-fluorothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46231660
1-[4-(2-Aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 46231785
1-[4-(2-Aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 46231786
1-Phenoxy-3-(1-(thieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
CID 52947562

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 2537908) is 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is Clc1ccc(OCCN2CCN(c3ncnc4sccc34)CC2)cc1.
What is the InChIKey of 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is NYPQKNLHCFKMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c19-14-1-3-15(4-2-14)24-11-10-22-6-8-23(9-7-22)17-16-5-12-25-18(16)21-13-20-17/h1-5,12-13H,6-11H2.
What are the key properties of 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 374.90 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2537908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).