3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one

C13H16N4OS — CID 47476509

IUPAC3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESCCc1cc2c(NC3CCCNC3=O)ncnc2s1
InChIInChI=1S/C13H16N4OS/c1-2-8-6-9-11(15-7-16-13(9)19-8)17-10-4-3-5-14-12(10)18/h6-7,10H,2-5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyJUFMSKMXFBCFLG-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.94
Rot. Bonds3

About 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one

3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 47476509) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
PubChem CID47476509
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESCCc1cc2c(NC3CCCNC3=O)ncnc2s1
InChIInChI=1S/C13H16N4OS/c1-2-8-6-9-11(15-7-16-13(9)19-8)17-10-4-3-5-14-12(10)18/h6-7,10H,2-5H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyJUFMSKMXFBCFLG-UHFFFAOYSA-N
XLogP1.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one (CID 47476509) is 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one is CCc1cc2c(NC3CCCNC3=O)ncnc2s1.
What is the InChIKey of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is JUFMSKMXFBCFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-8-6-9-11(15-7-16-13(9)19-8)17-10-4-3-5-14-12(10)18/h6-7,10H,2-5H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 276.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 47476509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).