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

C13H11N3OS — CID 110167649

IUPAC2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(-c3ccncc3)c(C)c2c(=O)[nH]1
InChIInChI=1S/C13H11N3OS/c1-7-10-12(17)15-8(2)16-13(10)18-11(7)9-3-5-14-6-4-9/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXDKIHUKQFVBOGV-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.66
Rot. Bonds1

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

2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 110167649) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID110167649
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(-c3ccncc3)c(C)c2c(=O)[nH]1
InChIInChI=1S/C13H11N3OS/c1-7-10-12(17)15-8(2)16-13(10)18-11(7)9-3-5-14-6-4-9/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXDKIHUKQFVBOGV-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167626
5-methyl-6-phenyl-2-thiophen-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52693465
2-(chloromethyl)-5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55025830
2-benzyl-6-(4-fluorophenyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 167495691
3-(2-hydroxyethyl)-2,5-dimethyl-6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-one
CID 110167641
5-but-2-en-2-yl-6-methyl-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 123172321
2-(1H-indol-3-ylmethyl)-5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518739
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
5-methyl-6-phenyl-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 47075969
N-cyclopropyl-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084641
2-(4-methoxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 1116711
5-(2-chlorophenyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007159

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 110167649) is 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1nc2sc(-c3ccncc3)c(C)c2c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is XDKIHUKQFVBOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-7-10-12(17)15-8(2)16-13(10)18-11(7)9-3-5-14-6-4-9/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 257.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110167649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).