3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one

C20H16N2O2S — CID 78322694

IUPAC3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(C)nc3c(-c4ccccc4)csc3c2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-13-21-18-17(14-6-4-3-5-7-14)12-25-19(18)20(23)22(13)15-8-10-16(24-2)11-9-15/h3-12H,1-2H3
InChIKeyQWJZAXKOFFQJEB-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.43
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one

3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78322694) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78322694
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(C)nc3c(-c4ccccc4)csc3c2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-13-21-18-17(14-6-4-3-5-7-14)12-25-19(18)20(23)22(13)15-8-10-16(24-2)11-9-15/h3-12H,1-2H3
InChIKeyQWJZAXKOFFQJEB-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

2-methyl-7-nitro-3-(4-phenylphenyl)thieno[3,2-d]pyrimidin-4-one
CID 155567988
5-(4-methoxyphenyl)-4,11,13-trimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 24844996
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647
3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 24959370
ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 30849928
N-[(3-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27374398
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
7-(4-methoxyphenyl)-2-(propan-2-ylamino)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136961700
3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 741656
3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one
CID 91398896
3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione
CID 11610605

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 78322694) is 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2c(C)nc3c(-c4ccccc4)csc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is QWJZAXKOFFQJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-21-18-17(14-6-4-3-5-7-14)12-25-19(18)20(23)22(13)15-8-10-16(24-2)11-9-15/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[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)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78322694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).