2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C10H14N2OS2 — CID 106481622

IUPAC2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCOC(C)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H14N2OS2/c1-3-13-6(2)9-11-8-5-15-4-7(8)10(14)12-9/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyDHDBBCHNVCDEJO-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.98
Rot. Bonds3

About 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481622) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481622
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCOC(C)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H14N2OS2/c1-3-13-6(2)9-11-8-5-15-4-7(8)10(14)12-9/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyDHDBBCHNVCDEJO-UHFFFAOYSA-N
XLogP2.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione 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 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481622) is 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CCOC(C)c1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is DHDBBCHNVCDEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-3-13-6(2)9-11-8-5-15-4-7(8)10(14)12-9/h6H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 242.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).