6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one

C12H7ClN2OS — CID 135399168

IUPAC6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C12H7ClN2OS/c13-8-3-1-7(2-4-8)10-5-9-11(17-10)12(16)15-6-14-9/h1-6H,(H,14,15,16)
InChIKeyGMVVGUVTWOTQNB-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.31
Rot. Bonds1

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

6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135399168) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135399168
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C12H7ClN2OS/c13-8-3-1-7(2-4-8)10-5-9-11(17-10)12(16)15-6-14-9/h1-6H,(H,14,15,16)
InChIKeyGMVVGUVTWOTQNB-UHFFFAOYSA-N
XLogP3.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135399168) is 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is GMVVGUVTWOTQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-8-3-1-7(2-4-8)10-5-9-11(17-10)12(16)15-6-14-9/h1-6H,(H,14,15,16).
What are the key properties of 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 262.72 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135399168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).