5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C11H14N2O3S — CID 82342085

IUPAC5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCc1c(C)sc2[nH]c(=O)n(CCO)c(=O)c12
InChIInChI=1S/C11H14N2O3S/c1-3-7-6(2)17-9-8(7)10(15)13(4-5-14)11(16)12-9/h14H,3-5H2,1-2H3,(H,12,16)
InChIKeyIWLXBIMDODKINP-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.61
Rot. Bonds3

About 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 82342085) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID82342085
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCc1c(C)sc2[nH]c(=O)n(CCO)c(=O)c12
InChIInChI=1S/C11H14N2O3S/c1-3-7-6(2)17-9-8(7)10(15)13(4-5-14)11(16)12-9/h14H,3-5H2,1-2H3,(H,12,16)
InChIKeyIWLXBIMDODKINP-UHFFFAOYSA-N
XLogP0.61
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 82342085) is 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is CCc1c(C)sc2[nH]c(=O)n(CCO)c(=O)c12.
What is the InChIKey of 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IWLXBIMDODKINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-3-7-6(2)17-9-8(7)10(15)13(4-5-14)11(16)12-9/h14H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 254.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-hydroxyethyl)-6-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 82342085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).