4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine

C17H17ClN4OS — CID 46228423

IUPAC4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESClc1cccc(COc2nc(N3CCNCC3)nc3sccc23)c1
InChIInChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-15-14-4-9-24-16(14)21-17(20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
InChIKeyGNAZTBFTLGYSPI-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.33
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine

4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 46228423) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine
PubChem CID46228423
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine
SMILESClc1cccc(COc2nc(N3CCNCC3)nc3sccc23)c1
InChIInChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-15-14-4-9-24-16(14)21-17(20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
InChIKeyGNAZTBFTLGYSPI-UHFFFAOYSA-N
XLogP3.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(2-Aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46231725
4-[4-[2-(4-Chlorophenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 2537908
4-(3-Chlorobenzyloxy)-7-methyl-2-(piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 46228429
4-(3-Chlorobenzyloxy)-2-(piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 46228442
4-[4-(2-Phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine
CID 46231853
3-[(2R)-1-phenylpropan-2-yl]oxy-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 177375805
4-(4-(2-(4-Chlorophenoxy)ethyl)piperazin-1-yl)-5-(thiophen-2-yl)thieno[2,3-d]pyrimidine
CID 1999798
4-[(2-Chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine
CID 2524224
N-[3-(4-chlorophenoxy)propyl]-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 172120825
4-[(4-chloro-2-fluorophenyl)methoxy]-2-[(3S)-3-methylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 178643606
3-Fluoro-4-[[2-(1,2,3,6-tetrahydropyridin-4-yl)thieno[2,3-d]pyrimidin-4-yl]oxymethyl]benzonitrile
CID 178643642
2-Chloro-4-[(4-chloro-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine
CID 178643793

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine (CID 46228423) is 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine is Clc1cccc(COc2nc(N3CCNCC3)nc3sccc23)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is GNAZTBFTLGYSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-15-14-4-9-24-16(14)21-17(20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine?
4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 360.87 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-2-piperazin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 46228423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).