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

C11H15N3OS2 — CID 106481698

IUPAC2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN1CCOC(c2nc(=S)c3c([nH]2)CSC3)C1
InChIInChI=1S/C11H15N3OS2/c1-14-2-3-15-9(4-14)10-12-8-6-17-5-7(8)11(16)13-10/h9H,2-6H2,1H3,(H,12,13,16)
InChIKeyFYTKNNUMBVQZHP-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.89
Rot. Bonds1

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

2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481698) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481698
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCN1CCOC(c2nc(=S)c3c([nH]2)CSC3)C1
InChIInChI=1S/C11H15N3OS2/c1-14-2-3-15-9(4-14)10-12-8-6-17-5-7(8)11(16)13-10/h9H,2-6H2,1H3,(H,12,13,16)
InChIKeyFYTKNNUMBVQZHP-UHFFFAOYSA-N
XLogP1.89
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481698) is 2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is CN1CCOC(c2nc(=S)c3c([nH]2)CSC3)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is FYTKNNUMBVQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-14-2-3-15-9(4-14)10-12-8-6-17-5-7(8)11(16)13-10/h9H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 269.39 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).