5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one

C12H9N3OS — CID 67382174

IUPAC5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc[nH]c(=O)c23)nc1
InChIInChI=1S/C12H9N3OS/c1-7-2-3-9(13-4-7)8-5-17-12-10(8)11(16)14-6-15-12/h2-6H,1H3,(H,14,15,16)
InChIKeyGEGMIUCXUSYEAT-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.36
Rot. Bonds1

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

5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 67382174) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID67382174
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2csc3nc[nH]c(=O)c23)nc1
InChIInChI=1S/C12H9N3OS/c1-7-2-3-9(13-4-7)8-5-17-12-10(8)11(16)14-6-15-12/h2-6H,1H3,(H,14,15,16)
InChIKeyGEGMIUCXUSYEAT-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 67382174) is 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(-c2csc3nc[nH]c(=O)c23)nc1.
What is the InChIKey of 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GEGMIUCXUSYEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-7-2-3-9(13-4-7)8-5-17-12-10(8)11(16)14-6-15-12/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 243.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 67382174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).