5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one

C15H12Cl2N2O2S — CID 28868299

IUPAC5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOCCc1nc2scc(-c3ccc(Cl)c(Cl)c3)c2c(=O)[nH]1
InChIInChI=1S/C15H12Cl2N2O2S/c1-21-5-4-12-18-14(20)13-9(7-22-15(13)19-12)8-2-3-10(16)11(17)6-8/h2-3,6-7H,4-5H2,1H3,(H,18,19,20)
InChIKeyOQQYBFLQMVXNDK-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.15
Rot. Bonds4

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

5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868299) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868299
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC Name5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOCCc1nc2scc(-c3ccc(Cl)c(Cl)c3)c2c(=O)[nH]1
InChIInChI=1S/C15H12Cl2N2O2S/c1-21-5-4-12-18-14(20)13-9(7-22-15(13)19-12)8-2-3-10(16)11(17)6-8/h2-3,6-7H,4-5H2,1H3,(H,18,19,20)
InChIKeyOQQYBFLQMVXNDK-UHFFFAOYSA-N
XLogP4.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-propan-2-ylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868463
5-(3,4-dimethylphenyl)-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868432
2-(2-chlorophenyl)-5-(3,4-dichlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868545
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373
5-(4-chloro-3-methylphenyl)-6-ethyl-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868288
2-(chloromethyl)-5-naphthalen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82064982
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890377
5-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167847889
2-[(4-chlorophenyl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890342
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2075669
N-[2-[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]acetamide
CID 75476661
2-benzyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890522

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868299) is 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one is COCCc1nc2scc(-c3ccc(Cl)c(Cl)c3)c2c(=O)[nH]1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is OQQYBFLQMVXNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c1-21-5-4-12-18-14(20)13-9(7-22-15(13)19-12)8-2-3-10(16)11(17)6-8/h2-3,6-7H,4-5H2,1H3,(H,18,19,20).
What are the key properties of 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 355.25 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).