1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione

C16H11ClN4O2S — CID 118712233

IUPAC1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C16H11ClN4O2S/c17-10-3-1-9(2-4-10)11-7-24-16-14(11)15(18-8-19-16)20-21-12(22)5-6-13(21)23/h1-4,7-8H,5-6H2,(H,18,19,20)
InChIKeyAXXDDCYWSYOQNM-UHFFFAOYSA-N
MW358.81 g/mol
LogP3.49
Rot. Bonds3

About 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione

1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione (PubChem CID 118712233) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
PubChem CID118712233
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC Name1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C16H11ClN4O2S/c17-10-3-1-9(2-4-10)11-7-24-16-14(11)15(18-8-19-16)20-21-12(22)5-6-13(21)23/h1-4,7-8H,5-6H2,(H,18,19,20)
InChIKeyAXXDDCYWSYOQNM-UHFFFAOYSA-N
XLogP3.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione (CID 118712233) is 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione?
The InChIKey is AXXDDCYWSYOQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c17-10-3-1-9(2-4-10)11-7-24-16-14(11)15(18-8-19-16)20-21-12(22)5-6-13(21)23/h1-4,7-8H,5-6H2,(H,18,19,20).
What are the key properties of 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione?
1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 358.81 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 118712233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).