5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

C12H9N3OS — CID 110167626

IUPAC5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(-c2ccncc2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C12H9N3OS/c1-7-9-11(16)14-6-15-12(9)17-10(7)8-2-4-13-5-3-8/h2-6H,1H3,(H,14,15,16)
InChIKeyNZMIKUPTSHMHAS-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.36
Rot. Bonds1

About 5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 110167626) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID110167626
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(-c2ccncc2)sc2nc[nH]c(=O)c12
InChIInChI=1S/C12H9N3OS/c1-7-9-11(16)14-6-15-12(9)17-10(7)8-2-4-13-5-3-8/h2-6H,1H3,(H,14,15,16)
InChIKeyNZMIKUPTSHMHAS-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-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 110167626) is 5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1c(-c2ccncc2)sc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NZMIKUPTSHMHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-7-9-11(16)14-6-15-12(9)17-10(7)8-2-4-13-5-3-8/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-methyl-6-pyridin-4-yl-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-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110167626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).