5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione

C20H21N3O5S — CID 39336058

IUPAC5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O5S/c1-21-18(25)17-15(13-3-5-14(27-2)6-4-13)12-29-19(17)23(20(21)26)11-16(24)22-7-9-28-10-8-22/h3-6,12H,7-11H2,1-2H3
InChIKeyGDVAAQSPBSADKT-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.30
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 39336058) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID39336058
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21N3O5S/c1-21-18(25)17-15(13-3-5-14(27-2)6-4-13)12-29-19(17)23(20(21)26)11-16(24)22-7-9-28-10-8-22/h3-6,12H,7-11H2,1-2H3
InChIKeyGDVAAQSPBSADKT-UHFFFAOYSA-N
XLogP1.30
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 39350609
5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 39313999
3-methyl-5-(2-methylpropyl)-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 42571154
1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39348633
7-(4-methoxyphenyl)-1,3-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 16800720
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
5-(4-fluorophenyl)-3-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 1139851
2-[3-benzyl-5-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-phenylacetamide
CID 39337235
7-(4-methoxyphenyl)-1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116129
7-(4-chlorophenyl)-1-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116245
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 125007525

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 39336058) is 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GDVAAQSPBSADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-21-18(25)17-15(13-3-5-14(27-2)6-4-13)12-29-19(17)23(20(21)26)11-16(24)22-7-9-28-10-8-22/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 415.47 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39336058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).