4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C18H20N4OS — CID 26448675

IUPAC4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccc(CN2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H20N4OS/c1-23-15-4-2-14(3-5-15)12-21-7-9-22(10-8-21)17-16-6-11-24-18(16)20-13-19-17/h2-6,11,13H,7-10,12H2,1H3
InChIKeyFARKTHPRLBYNRD-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.02
Rot. Bonds4

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

4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 26448675) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID26448675
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccc(CN2CCN(c3ncnc4sccc34)CC2)cc1
InChIInChI=1S/C18H20N4OS/c1-23-15-4-2-14(3-5-15)12-21-7-9-22(10-8-21)17-16-6-11-24-18(16)20-13-19-17/h2-6,11,13H,7-10,12H2,1H3
InChIKeyFARKTHPRLBYNRD-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzonitrile
CID 9109446
2-(4-methoxyphenyl)sulfanyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814543
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 78898373
4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 1189434
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163343513
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 86921884
4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 78898359
N,N-dimethyl-3-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 78847044
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031947
5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
CID 87057095
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154581116

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 26448675) is 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is COc1ccc(CN2CCN(c3ncnc4sccc34)CC2)cc1.
What is the InChIKey of 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is FARKTHPRLBYNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-23-15-4-2-14(3-5-15)12-21-7-9-22(10-8-21)17-16-6-11-24-18(16)20-13-19-17/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 340.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 26448675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).