4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine

C17H19N5OS — CID 138008494

IUPAC4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCCOc1cccnc1N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C17H19N5OS/c1-2-23-14-4-3-6-18-16(14)21-7-9-22(10-8-21)17-15-13(5-11-24-15)19-12-20-17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyKZSQKIZYOGAXJU-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.81
Rot. Bonds4

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

4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 138008494) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID138008494
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCCOc1cccnc1N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C17H19N5OS/c1-2-23-14-4-3-6-18-16(14)21-7-9-22(10-8-21)17-15-13(5-11-24-15)19-12-20-17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyKZSQKIZYOGAXJU-UHFFFAOYSA-N
XLogP2.81
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 166601575
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 136527857
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 163357358
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
CID 113370657
2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile
CID 60702030
4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 146124392
2-(4-methylphenyl)-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanamine
CID 143569190

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 138008494) is 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine is CCOc1cccnc1N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is KZSQKIZYOGAXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-23-14-4-3-6-18-16(14)21-7-9-22(10-8-21)17-15-13(5-11-24-15)19-12-20-17/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 341.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 138008494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).