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

C11H16N2OS2 — CID 106481632

IUPAC2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCOC(CC)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C11H16N2OS2/c1-3-9(14-4-2)10-12-8-6-16-5-7(8)11(15)13-10/h9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyUIORCCLZCOCOAS-UHFFFAOYSA-N
MW256.40 g/mol
LogP3.37
Rot. Bonds4

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

2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481632) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481632
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCCOC(CC)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C11H16N2OS2/c1-3-9(14-4-2)10-12-8-6-16-5-7(8)11(15)13-10/h9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyUIORCCLZCOCOAS-UHFFFAOYSA-N
XLogP3.37
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481632) is 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CCOC(CC)c1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is UIORCCLZCOCOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-3-9(14-4-2)10-12-8-6-16-5-7(8)11(15)13-10/h9H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 256.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).