2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C18H11ClN2OS — CID 28868492

IUPAC2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2Cl)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H11ClN2OS/c19-14-9-5-4-8-12(14)16-20-17(22)15-13(10-23-18(15)21-16)11-6-2-1-3-7-11/h1-10H,(H,20,21,22)
InChIKeyFVNZPUMEZWHIDU-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.97
Rot. Bonds2

About 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868492) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868492
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2Cl)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C18H11ClN2OS/c19-14-9-5-4-8-12(14)16-20-17(22)15-13(10-23-18(15)21-16)11-6-2-1-3-7-11/h1-10H,(H,20,21,22)
InChIKeyFVNZPUMEZWHIDU-UHFFFAOYSA-N
XLogP4.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868545
2-(2-chlorophenyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868535
2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889403
2-(dichloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852970
5-(2-chlorophenyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007159
2-(1-chloroethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084617
2-[(4-chlorophenyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 986669
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 134093392
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 41224387
5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868602
2-(2-chlorophenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28868511
5-(2-chlorophenyl)-2-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 52753634

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868492) is 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2Cl)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FVNZPUMEZWHIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-14-9-5-4-8-12(14)16-20-17(22)15-13(10-23-18(15)21-16)11-6-2-1-3-7-11/h1-10H,(H,20,21,22).
What are the key properties of 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 338.82 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).