5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one

C15H14N2OS — CID 873444

IUPAC5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C15H14N2OS/c1-9-4-6-12(7-5-9)17-8-16-14-13(15(17)18)10(2)11(3)19-14/h4-8H,1-3H3
InChIKeyATDHPQVULGXMCW-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.37
Rot. Bonds1

About 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 873444) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID873444
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C15H14N2OS/c1-9-4-6-12(7-5-9)17-8-16-14-13(15(17)18)10(2)11(3)19-14/h4-8H,1-3H3
InChIKeyATDHPQVULGXMCW-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one (CID 873444) is 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1.
What is the InChIKey of 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ATDHPQVULGXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9-4-6-12(7-5-9)17-8-16-14-13(15(17)18)10(2)11(3)19-14/h4-8H,1-3H3.
What are the key properties of 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 873444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).