2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

C15H14N2OS — CID 902241

IUPAC2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1
InChIInChI=1S/C15H14N2OS/c1-2-11-9-12-14(18)16-13(17-15(12)19-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17,18)
InChIKeyYYMKWYVBWDIMET-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.14
Rot. Bonds3

About 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 902241) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID902241
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1
InChIInChI=1S/C15H14N2OS/c1-2-11-9-12-14(18)16-13(17-15(12)19-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17,18)
InChIKeyYYMKWYVBWDIMET-UHFFFAOYSA-N
XLogP3.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 902241) is 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YYMKWYVBWDIMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-11-9-12-14(18)16-13(17-15(12)19-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17,18).
What are the key properties of 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 902241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).