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

C10H14N2OS2 — CID 106481563

IUPAC2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCCOCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H14N2OS2/c1-2-3-13-4-9-11-8-6-15-5-7(8)10(14)12-9/h2-6H2,1H3,(H,11,12,14)
InChIKeyOQANLZXMJSGCGX-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.81
Rot. Bonds4

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

2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481563) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481563
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCCOCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H14N2OS2/c1-2-3-13-4-9-11-8-6-15-5-7(8)10(14)12-9/h2-6H2,1H3,(H,11,12,14)
InChIKeyOQANLZXMJSGCGX-UHFFFAOYSA-N
XLogP2.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481563) is 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CCCOCc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is OQANLZXMJSGCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-2-3-13-4-9-11-8-6-15-5-7(8)10(14)12-9/h2-6H2,1H3,(H,11,12,14).
What are the key properties of 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 242.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).