3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C10H12N2O4S — CID 56686615

IUPAC3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOC(Cn1c(=O)[nH]c2ccsc2c1=O)OC
InChIInChI=1S/C10H12N2O4S/c1-15-7(16-2)5-12-9(13)8-6(3-4-17-8)11-10(12)14/h3-4,7H,5H2,1-2H3,(H,11,14)
InChIKeyZMTKRDTUUZGFJH-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.37
Rot. Bonds4

About 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 56686615) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID56686615
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOC(Cn1c(=O)[nH]c2ccsc2c1=O)OC
InChIInChI=1S/C10H12N2O4S/c1-15-7(16-2)5-12-9(13)8-6(3-4-17-8)11-10(12)14/h3-4,7H,5H2,1-2H3,(H,11,14)
InChIKeyZMTKRDTUUZGFJH-UHFFFAOYSA-N
XLogP0.37
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 56686615) is 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is COC(Cn1c(=O)[nH]c2ccsc2c1=O)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZMTKRDTUUZGFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-15-7(16-2)5-12-9(13)8-6(3-4-17-8)11-10(12)14/h3-4,7H,5H2,1-2H3,(H,11,14).
What are the key properties of 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 256.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56686615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).