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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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).