3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

C18H11FN2OS — CID 78324866

IUPAC3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1F
InChIInChI=1S/C18H11FN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H
InChIKeyZTOAXEZHBPCZRO-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.25
Rot. Bonds2

About 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78324866) has the molecular formula C18H11FN2OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78324866
Molecular FormulaC18H11FN2OS
Molecular Weight322.36 g/mol
Exact Mass322.06
IUPAC Name3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1F
InChIInChI=1S/C18H11FN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H
InChIKeyZTOAXEZHBPCZRO-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
5,6-dimethyl-3-(4-methylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 873444
N-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 2102984
3-allyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 731336
2-(ethylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 1118016
2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 2876582
N-(2-aminophenyl)-4-((4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)methyl)benzamide
CID 10177542
[3-(2-Fluoro-phenyl)-4-oxo-5-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl]-acetic acid hydrazide
CID 44391422
[3-(3-Fluoro-phenyl)-5-(2-fluoro-phenyl)-6-methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl]-acetic acid hydrazide
CID 44391437
[3-(3-Fluoro-phenyl)-4-oxo-5-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl]-acetic acid hydrazide
CID 44391438
[3-(4-Fluoro-phenyl)-4-oxo-5-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl]-acetic acid hydrazide
CID 44391439
[5-(4-Fluoro-phenyl)-4-oxo-3-phenyl-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl]-acetic acid hydrazide
CID 44391464

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 78324866) is 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is O=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZTOAXEZHBPCZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2OS/c19-14-8-4-5-9-15(14)21-11-20-16-13(10-23-17(16)18(21)22)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 322.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78324866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).