3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one

C20H16N2O2S — CID 78322060

IUPAC3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4ccccc4C)csc3c2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-13-5-3-4-6-16(13)17-11-25-19-18(17)21-12-22(20(19)23)14-7-9-15(24-2)10-8-14/h3-12H,1-2H3
InChIKeyJDXZENOQNDFIER-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.43
Rot. Bonds3

About 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one

3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 78322060) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID78322060
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4ccccc4C)csc3c2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-13-5-3-4-6-16(13)17-11-25-19-18(17)21-12-22(20(19)23)14-7-9-15(24-2)10-8-14/h3-12H,1-2H3
InChIKeyJDXZENOQNDFIER-UHFFFAOYSA-N
XLogP4.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Necrostatin-5
CID 1913406
2-({3-ethyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 6624353
N-[(3-methoxyphenyl)methyl]-4-oxo-5-[(2-phenylacetyl)amino]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652324
2-Hydrazinyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 746518
3-(3-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 899013
2-(4-methoxyphenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 951414
5-(4-Methoxy-phenyl)-3-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 709188
3-Allyl-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 709192
3-(4-Ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 724262
3-(4-Ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 916362
5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 1082736
3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 2077545

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one (CID 78322060) is 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2cnc3c(-c4ccccc4C)csc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JDXZENOQNDFIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-5-3-4-6-16(13)17-11-25-19-18(17)21-12-22(20(19)23)14-7-9-15(24-2)10-8-14/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one?
3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-(2-methylphenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78322060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).