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

C15H21N5S — CID 66197366

IUPAC6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CC(N4CCNCC4)C3)ncnc2s1
InChIInChI=1S/C15H21N5S/c1-2-12-7-13-14(17-10-18-15(13)21-12)20-8-11(9-20)19-5-3-16-4-6-19/h7,10-11,16H,2-6,8-9H2,1H3
InChIKeyRHEFRLOQGBIGPR-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.35
Rot. Bonds3

About 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine

6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 66197366) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID66197366
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CC(N4CCNCC4)C3)ncnc2s1
InChIInChI=1S/C15H21N5S/c1-2-12-7-13-14(17-10-18-15(13)21-12)20-8-11(9-20)19-5-3-16-4-6-19/h7,10-11,16H,2-6,8-9H2,1H3
InChIKeyRHEFRLOQGBIGPR-UHFFFAOYSA-N
XLogP1.35
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine (CID 66197366) is 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine is CCc1cc2c(N3CC(N4CCNCC4)C3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is RHEFRLOQGBIGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-2-12-7-13-14(17-10-18-15(13)21-12)20-8-11(9-20)19-5-3-16-4-6-19/h7,10-11,16H,2-6,8-9H2,1H3.
What are the key properties of 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine?
6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 303.44 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(3-piperazin-1-ylazetidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 66197366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).