2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C18H11FN2OS — CID 53268728

IUPAC2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H11FN2OS/c19-13-8-6-12(7-9-13)16-20-17(22)14-10-15(23-18(14)21-16)11-4-2-1-3-5-11/h1-10H,(H,20,21,22)
InChIKeyKQGPEBZBQNARDT-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.46
Rot. Bonds2

About 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 53268728) has the molecular formula C18H11FN2OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID53268728
Molecular FormulaC18H11FN2OS
Molecular Weight322.36 g/mol
Exact Mass322.06
IUPAC Name2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H11FN2OS/c19-13-8-6-12(7-9-13)16-20-17(22)14-10-15(23-18(14)21-16)11-4-2-1-3-5-11/h1-10H,(H,20,21,22)
InChIKeyKQGPEBZBQNARDT-UHFFFAOYSA-N
XLogP4.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268657
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-(1-chloroethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065003
2-methylsulfonyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 95528669
8-(4-fluorophenyl)-14-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
CID 2242957
propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
CID 2106367
2-[(3-chlorophenyl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888382
2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268573
2-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanethioamide
CID 39158891
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 55838450
5,13-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,13-pentaene-7,11-dione
CID 135869738

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 53268728) is 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(F)cc2)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KQGPEBZBQNARDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2OS/c19-13-8-6-12(7-9-13)16-20-17(22)14-10-15(23-18(14)21-16)11-4-2-1-3-5-11/h1-10H,(H,20,21,22).
What are the key properties of 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 322.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53268728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).