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

C15H14N2O2S — CID 686241

IUPAC2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C15H14N2O2S/c1-8-9(2)20-15-12(8)14(18)16-13(17-15)10-5-4-6-11(7-10)19-3/h4-7H,1-3H3,(H,16,17,18)
InChIKeyMSBSXSALTFQADZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.28
Rot. Bonds2

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

2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 686241) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID686241
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c1
InChIInChI=1S/C15H14N2O2S/c1-8-9(2)20-15-12(8)14(18)16-13(17-15)10-5-4-6-11(7-10)19-3/h4-7H,1-3H3,(H,16,17,18)
InChIKeyMSBSXSALTFQADZ-UHFFFAOYSA-N
XLogP3.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 686241) is 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is COc1cccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is MSBSXSALTFQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-8-9(2)20-15-12(8)14(18)16-13(17-15)10-5-4-6-11(7-10)19-3/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 686241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).