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

C20H16N2O2S — CID 16577259

IUPAC3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-16-9-7-14(8-10-16)12-22-13-21-19-17(20(22)23)11-18(25-19)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
InChIKeyPXTQQOWRDBRUTJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.18
Rot. Bonds4

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

3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 16577259) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID16577259
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-16-9-7-14(8-10-16)12-22-13-21-19-17(20(22)23)11-18(25-19)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3
InChIKeyPXTQQOWRDBRUTJ-UHFFFAOYSA-N
XLogP4.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-acetyl-2-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7886220
6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 725323
3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 948701
butyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 7671833
3-[(4-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 39103381
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 24592708
3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 24562552
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 5451910
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 1412322
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 27238858
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 16577259) is 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one is COc1ccc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is PXTQQOWRDBRUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-16-9-7-14(8-10-16)12-22-13-21-19-17(20(22)23)11-18(25-19)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 16577259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).