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

C10H10F4N2OS2 — CID 106481638

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESFC(F)C(F)(F)COCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H10F4N2OS2/c11-9(12)10(13,14)4-17-1-7-15-6-3-19-2-5(6)8(18)16-7/h9H,1-4H2,(H,15,16,18)
InChIKeyVQEIASLVUZVOTF-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.30
Rot. Bonds5

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

2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481638) has the molecular formula C10H10F4N2OS2 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481638
Molecular FormulaC10H10F4N2OS2
Molecular Weight314.33 g/mol
Exact Mass314.02
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESFC(F)C(F)(F)COCc1nc(=S)c2c([nH]1)CSC2
InChIInChI=1S/C10H10F4N2OS2/c11-9(12)10(13,14)4-17-1-7-15-6-3-19-2-5(6)8(18)16-7/h9H,1-4H2,(H,15,16,18)
InChIKeyVQEIASLVUZVOTF-UHFFFAOYSA-N
XLogP3.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,2,3,3-tetrafluoropropoxymethyl)-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

Related Compounds

5,6-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106476682
2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481580
2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481581
2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481678
2-(propoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481563
2-(1-ethoxyethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481622
2-(ethoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481697
2-(1,4-oxathian-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481749
2-(methoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481766

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481638) is 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is FC(F)C(F)(F)COCc1nc(=S)c2c([nH]1)CSC2.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is VQEIASLVUZVOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2OS2/c11-9(12)10(13,14)4-17-1-7-15-6-3-19-2-5(6)8(18)16-7/h9H,1-4H2,(H,15,16,18).
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 314.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).