5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

C16H16N2OS — CID 28868331

IUPAC5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1nc2scc(-c3ccc(C)cc3C)c2c(=O)[nH]1
InChIInChI=1S/C16H16N2OS/c1-4-13-17-15(19)14-12(8-20-16(14)18-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyJWAVBNVWWRYMSG-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.83
Rot. Bonds2

About 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868331) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868331
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1nc2scc(-c3ccc(C)cc3C)c2c(=O)[nH]1
InChIInChI=1S/C16H16N2OS/c1-4-13-17-15(19)14-12(8-20-16(14)18-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyJWAVBNVWWRYMSG-UHFFFAOYSA-N
XLogP3.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868331) is 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1nc2scc(-c3ccc(C)cc3C)c2c(=O)[nH]1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JWAVBNVWWRYMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-4-13-17-15(19)14-12(8-20-16(14)18-13)11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 284.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).