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

C17H15ClN4OS — CID 71882703

IUPAC3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C17H15ClN4OS/c18-11-5-3-10(4-6-11)14-8-13-15(24-14)16(21-9-20-13)22-12-2-1-7-19-17(12)23/h3-6,8-9,12H,1-2,7H2,(H,19,23)(H,20,21,22)
InChIKeyABDUHSDGJQCTKX-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.70
Rot. Bonds3

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

3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 71882703) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one
PubChem CID71882703
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C17H15ClN4OS/c18-11-5-3-10(4-6-11)14-8-13-15(24-14)16(21-9-20-13)22-12-2-1-7-19-17(12)23/h3-6,8-9,12H,1-2,7H2,(H,19,23)(H,20,21,22)
InChIKeyABDUHSDGJQCTKX-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one (CID 71882703) is 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one is O=C1NCCCC1Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is ABDUHSDGJQCTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-11-5-3-10(4-6-11)14-8-13-15(24-14)16(21-9-20-13)22-12-2-1-7-19-17(12)23/h3-6,8-9,12H,1-2,7H2,(H,19,23)(H,20,21,22).
What are the key properties of 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one?
3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 358.85 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 71882703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).