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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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).