3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one

C13H9ClN2OS — CID 901566

IUPAC3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2OS/c1-8-15-12-11(5-6-18-12)13(17)16(8)10-4-2-3-9(14)7-10/h2-7H,1H3
InChIKeyNIGFDIXXONBVBS-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.41
Rot. Bonds1

About 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one

3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 901566) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID901566
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sccc2c(=O)n1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2OS/c1-8-15-12-11(5-6-18-12)13(17)16(8)10-4-2-3-9(14)7-10/h2-7H,1H3
InChIKeyNIGFDIXXONBVBS-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one (CID 901566) is 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one is Cc1nc2sccc2c(=O)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is NIGFDIXXONBVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-8-15-12-11(5-6-18-12)13(17)16(8)10-4-2-3-9(14)7-10/h2-7H,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one?
3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 276.75 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 901566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).