1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione

C17H19N3O3S — CID 155548182

IUPAC1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2cccnc2)c(=O)c2c(C)csc21
InChIInChI=1S/C17H19N3O3S/c1-12-11-24-16-14(12)15(21)19(17(22)20(16)8-9-23-2)7-5-13-4-3-6-18-10-13/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyYOCSNWMASOZIAW-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.82
Rot. Bonds6

About 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione

1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 155548182) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID155548182
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(CCc2cccnc2)c(=O)c2c(C)csc21
InChIInChI=1S/C17H19N3O3S/c1-12-11-24-16-14(12)15(21)19(17(22)20(16)8-9-23-2)7-5-13-4-3-6-18-10-13/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyYOCSNWMASOZIAW-UHFFFAOYSA-N
XLogP1.82
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 155548182) is 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(CCc2cccnc2)c(=O)c2c(C)csc21.
What is the InChIKey of 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YOCSNWMASOZIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-12-11-24-16-14(12)15(21)19(17(22)20(16)8-9-23-2)7-5-13-4-3-6-18-10-13/h3-4,6,10-11H,5,7-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 345.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-methyl-3-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155548182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).