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

C11H7N3OS — CID 71068430

IUPAC2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2sccc12
InChIInChI=1S/C11H7N3OS/c15-10-8-3-6-16-11(8)14-9(13-10)7-1-4-12-5-2-7/h1-6H,(H,13,14,15)
InChIKeySBNXSNATOFHFOL-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.05
Rot. Bonds1

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

2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 71068430) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID71068430
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2sccc12
InChIInChI=1S/C11H7N3OS/c15-10-8-3-6-16-11(8)14-9(13-10)7-1-4-12-5-2-7/h1-6H,(H,13,14,15)
InChIKeySBNXSNATOFHFOL-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 71068430) is 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2sccc12.
What is the InChIKey of 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SBNXSNATOFHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c15-10-8-3-6-16-11(8)14-9(13-10)7-1-4-12-5-2-7/h1-6H,(H,13,14,15).
What are the key properties of 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 229.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71068430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).