3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one

C22H18N2O3S — CID 7886220

IUPAC3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(C(C)=O)cc1Cn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C22H18N2O3S/c1-14(25)16-8-9-19(27-2)17(10-16)12-24-13-23-21-18(22(24)26)11-20(28-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyWUVJGJSHDWTKHW-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.38
Rot. Bonds5

About 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one

3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 7886220) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID7886220
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(C(C)=O)cc1Cn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C22H18N2O3S/c1-14(25)16-8-9-19(27-2)17(10-16)12-24-13-23-21-18(22(24)26)11-20(28-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyWUVJGJSHDWTKHW-UHFFFAOYSA-N
XLogP4.38
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 7886220) is 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one is COc1ccc(C(C)=O)cc1Cn1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is WUVJGJSHDWTKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-14(25)16-8-9-19(27-2)17(10-16)12-24-13-23-21-18(22(24)26)11-20(28-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 390.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7886220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).