1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione

C21H18N2O3S — CID 39348633

IUPAC1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-22-19(24)18-17(15-8-10-16(26-2)11-9-15)13-27-20(18)23(21(22)25)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyZTYJSCCJCYXXNP-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.49
Rot. Bonds4

About 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione

1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 39348633) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID39348633
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3S/c1-22-19(24)18-17(15-8-10-16(26-2)11-9-15)13-27-20(18)23(21(22)25)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyZTYJSCCJCYXXNP-UHFFFAOYSA-N
XLogP3.49
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
CID 39333147
5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 39350609
2-[3-benzyl-5-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-phenylacetamide
CID 39337235
5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 39336058
3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione
CID 11610605
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
acetic acid;3-benzyl-7-[(4-methoxyphenyl)methyl]-5-methyl-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 143367067
5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 39313999
7-benzyl-8-(4-methoxyphenyl)-3-methyl-1-propylpurine-2,6-dione
CID 135269355
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
CID 159183792
1-benzyl-5-(bromomethyl)-3-methyl-6-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-dione;ethane
CID 91443552

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione (CID 39348633) is 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZTYJSCCJCYXXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-22-19(24)18-17(15-8-10-16(26-2)11-9-15)13-27-20(18)23(21(22)25)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione?
1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 378.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39348633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).