5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C22H20N2O2S — CID 28890107

IUPAC5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(-c2csc3nc(Cc4ccccc4OC)[nH]c(=O)c23)cc1
InChIInChI=1S/C22H20N2O2S/c1-3-14-8-10-15(11-9-14)17-13-27-22-20(17)21(25)23-19(24-22)12-16-6-4-5-7-18(16)26-2/h4-11,13H,3,12H2,1-2H3,(H,23,24,25)
InChIKeyDIZPULUPWPGROY-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.81
Rot. Bonds5

About 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28890107) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28890107
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(-c2csc3nc(Cc4ccccc4OC)[nH]c(=O)c23)cc1
InChIInChI=1S/C22H20N2O2S/c1-3-14-8-10-15(11-9-14)17-13-27-22-20(17)21(25)23-19(24-22)12-16-6-4-5-7-18(16)26-2/h4-11,13H,3,12H2,1-2H3,(H,23,24,25)
InChIKeyDIZPULUPWPGROY-UHFFFAOYSA-N
XLogP4.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889653
5-(4-bromophenyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889846
5-(4-ethylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888244
5-(4-tert-butylphenyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890007
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373
5-(4-tert-butylphenyl)-2-(naphthalen-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868176
2-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889971
2-[(4-chlorophenyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 986669
5-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167847889
2-benzyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890522
2-benzhydryl-5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868698
2-[(3,4-dimethoxyphenyl)methyl]-5-(2-methoxy-5-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890011

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 28890107) is 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is CCc1ccc(-c2csc3nc(Cc4ccccc4OC)[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DIZPULUPWPGROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-3-14-8-10-15(11-9-14)17-13-27-22-20(17)21(25)23-19(24-22)12-16-6-4-5-7-18(16)26-2/h4-11,13H,3,12H2,1-2H3,(H,23,24,25).
What are the key properties of 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 376.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28890107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).