7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C17H9F2N3OS — CID 137429806

IUPAC7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(-c3ccc(F)cc3F)csc12
InChIInChI=1S/C17H9F2N3OS/c18-9-4-5-10(12(19)7-9)11-8-24-15-14(11)21-16(22-17(15)23)13-3-1-2-6-20-13/h1-8H,(H,21,22,23)
InChIKeySGFHYYSRGGPYGM-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.99
Rot. Bonds2

About 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429806) has the molecular formula C17H9F2N3OS and a molecular weight of 341.34 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429806
Molecular FormulaC17H9F2N3OS
Molecular Weight341.34 g/mol
Exact Mass341.04
IUPAC Name7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(-c3ccc(F)cc3F)csc12
InChIInChI=1S/C17H9F2N3OS/c18-9-4-5-10(12(19)7-9)11-8-24-15-14(11)21-16(22-17(15)23)13-3-1-2-6-20-13/h1-8H,(H,21,22,23)
InChIKeySGFHYYSRGGPYGM-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429426
7-(4-methoxy-2,5-dimethylphenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429786
7-[4-amino-3-(methylamino)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506735
2-[1-(2-methoxyethyl)imidazol-4-yl]-7-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 163986507
7-piperidin-1-ium-4-yl-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 147185081
7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159908992
ethane;7-[4-(oxolan-3-yloxy)phenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 142506738
4-(2,4-difluorophenyl)-2-pyridin-2-ylpyridine
CID 102085632
2-(2,4-difluorophenyl)pyridine;trichloroiridium
CID 174879451
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
4-oxo-N-(2-phenylethyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carboxamide
CID 137223319
12-[7-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-7-yl)-1,3-benzodioxol-4-yl]-5-pyridin-2-yl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 142506730

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429806) is 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c(-c3ccc(F)cc3F)csc12.
What is the InChIKey of 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SGFHYYSRGGPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3OS/c18-9-4-5-10(12(19)7-9)11-8-24-15-14(11)21-16(22-17(15)23)13-3-1-2-6-20-13/h1-8H,(H,21,22,23).
What are the key properties of 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 341.34 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).