3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C14H11ClN2OS — CID 764205

IUPAC3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(-c3ccc(Cl)cc3)c(=O)c2c1C
InChIInChI=1S/C14H11ClN2OS/c1-8-9(2)19-13-12(8)14(18)17(7-16-13)11-5-3-10(15)4-6-11/h3-7H,1-2H3
InChIKeyUWJGRNZEKFBJDM-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.72
Rot. Bonds1

About 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 764205) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID764205
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(-c3ccc(Cl)cc3)c(=O)c2c1C
InChIInChI=1S/C14H11ClN2OS/c1-8-9(2)19-13-12(8)14(18)17(7-16-13)11-5-3-10(15)4-6-11/h3-7H,1-2H3
InChIKeyUWJGRNZEKFBJDM-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 764205) is 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(-c3ccc(Cl)cc3)c(=O)c2c1C.
What is the InChIKey of 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is UWJGRNZEKFBJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-9(2)19-13-12(8)14(18)17(7-16-13)11-5-3-10(15)4-6-11/h3-7H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 290.78 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 764205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).