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

C10H14N2OS2 — CID 106481700

IUPAC2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCOC(C)(C)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H14N2OS2/c1-10(2,13-3)9-11-7-5-15-4-6(7)8(14)12-9/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyFVUJJJRLTGLFCO-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.77
Rot. Bonds2

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

2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481700) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481700
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESCOC(C)(C)c1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H14N2OS2/c1-10(2,13-3)9-11-7-5-15-4-6(7)8(14)12-9/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyFVUJJJRLTGLFCO-UHFFFAOYSA-N
XLogP2.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481700) is 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is COC(C)(C)c1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is FVUJJJRLTGLFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-10(2,13-3)9-11-7-5-15-4-6(7)8(14)12-9/h4-5H2,1-3H3,(H,11,12,14).
What are the key properties of 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 242.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).