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

C10H12N2S2 — CID 106481695

IUPAC2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(C2CCC2)[nH]c2c1CSC2
InChIInChI=1S/C10H12N2S2/c13-10-7-4-14-5-8(7)11-9(12-10)6-2-1-3-6/h6H,1-5H2,(H,11,12,13)
InChIKeyQRDBCZDWSUOTFC-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.15
Rot. Bonds1

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

2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481695) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481695
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(C2CCC2)[nH]c2c1CSC2
InChIInChI=1S/C10H12N2S2/c13-10-7-4-14-5-8(7)11-9(12-10)6-2-1-3-6/h6H,1-5H2,(H,11,12,13)
InChIKeyQRDBCZDWSUOTFC-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481695) is 2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is S=c1nc(C2CCC2)[nH]c2c1CSC2.
What is the InChIKey of 2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is QRDBCZDWSUOTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c13-10-7-4-14-5-8(7)11-9(12-10)6-2-1-3-6/h6H,1-5H2,(H,11,12,13).
What are the key properties of 2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 224.35 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).