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

C10H13N3OS2 — CID 106481608

IUPAC2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(N2CCOCC2)[nH]c2c1CSC2
InChIInChI=1S/C10H13N3OS2/c15-9-7-5-16-6-8(7)11-10(12-9)13-1-3-14-4-2-13/h1-6H2,(H,11,12,15)
InChIKeyMBDQXLFKTKRXNV-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.72
Rot. Bonds1

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

2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481608) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481608
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(N2CCOCC2)[nH]c2c1CSC2
InChIInChI=1S/C10H13N3OS2/c15-9-7-5-16-6-8(7)11-10(12-9)13-1-3-14-4-2-13/h1-6H2,(H,11,12,15)
InChIKeyMBDQXLFKTKRXNV-UHFFFAOYSA-N
XLogP1.72
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.72
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-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481608) is 2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is S=c1nc(N2CCOCC2)[nH]c2c1CSC2.
What is the InChIKey of 2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is MBDQXLFKTKRXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c15-9-7-5-16-6-8(7)11-10(12-9)13-1-3-14-4-2-13/h1-6H2,(H,11,12,15).
What are the key properties of 2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 255.37 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).