6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one

C22H18N2O2S — CID 9145858

IUPAC6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CC(=O)c3ccc(-c4ccccc4)cc3)cnc2s1
InChIInChI=1S/C22H18N2O2S/c1-2-18-12-19-21(27-18)23-14-24(22(19)26)13-20(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3
InChIKeyCICLWTSYVPFERB-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.57
Rot. Bonds5

About 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 9145858) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID9145858
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CC(=O)c3ccc(-c4ccccc4)cc3)cnc2s1
InChIInChI=1S/C22H18N2O2S/c1-2-18-12-19-21(27-18)23-14-24(22(19)26)13-20(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3
InChIKeyCICLWTSYVPFERB-UHFFFAOYSA-N
XLogP4.57
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 17425485
6-ethyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 18203092
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide
CID 7630229
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 27238858
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 17423371
4-ethyl-6-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-1,4-benzoxazin-3-one
CID 23408289
6-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 23408920
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 18203184
3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide
CID 51303590
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 18203072
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one (CID 9145858) is 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CC(=O)c3ccc(-c4ccccc4)cc3)cnc2s1.
What is the InChIKey of 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CICLWTSYVPFERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-2-18-12-19-21(27-18)23-14-24(22(19)26)13-20(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3.
What are the key properties of 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 374.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9145858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).