5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C15H14N2OS — CID 703939

IUPAC5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(-c2csc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C15H14N2OS/c1-9(2)10-3-5-11(6-4-10)12-7-19-15-13(12)14(18)16-8-17-15/h3-9H,1-2H3,(H,16,17,18)
InChIKeyJUPNQALMIMXJJJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.78
Rot. Bonds2

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

5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 703939) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID703939
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(-c2csc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C15H14N2OS/c1-9(2)10-3-5-11(6-4-10)12-7-19-15-13(12)14(18)16-8-17-15/h3-9H,1-2H3,(H,16,17,18)
InChIKeyJUPNQALMIMXJJJ-UHFFFAOYSA-N
XLogP3.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 703939) is 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is CC(C)c1ccc(-c2csc3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JUPNQALMIMXJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-9(2)10-3-5-11(6-4-10)12-7-19-15-13(12)14(18)16-8-17-15/h3-9H,1-2H3,(H,16,17,18).
What are the key properties of 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 703939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).