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

C17H11N3OS — CID 852973

IUPAC5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H11N3OS/c21-16-14-12(11-6-2-1-3-7-11)10-22-17(14)20-15(19-16)13-8-4-5-9-18-13/h1-10H,(H,19,20,21)
InChIKeySYVXEDSLZZASBA-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.71
Rot. Bonds2

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

5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 852973) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID852973
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C17H11N3OS/c21-16-14-12(11-6-2-1-3-7-11)10-22-17(14)20-15(19-16)13-8-4-5-9-18-13/h1-10H,(H,19,20,21)
InChIKeySYVXEDSLZZASBA-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 852973) is 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SYVXEDSLZZASBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-16-14-12(11-6-2-1-3-7-11)10-22-17(14)20-15(19-16)13-8-4-5-9-18-13/h1-10H,(H,19,20,21).
What are the key properties of 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 852973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).