2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine

C8H6F3IN2S — CID 91926249

IUPAC2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
SMILESFC(F)(F)c1nc(I)nc2c1CSCC2
InChIInChI=1S/C8H6F3IN2S/c9-8(10,11)6-4-3-15-2-1-5(4)13-7(12)14-6/h1-3H2
InChIKeyFWEJDPLHOYTODG-UHFFFAOYSA-N
MW346.12 g/mol
LogP2.89
Rot. Bonds

About 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine

2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine (PubChem CID 91926249) has the molecular formula C8H6F3IN2S and a molecular weight of 346.12 g/mol. Its IUPAC name is 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
PubChem CID91926249
Molecular FormulaC8H6F3IN2S
Molecular Weight346.12 g/mol
Exact Mass345.92
IUPAC Name2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
SMILESFC(F)(F)c1nc(I)nc2c1CSCC2
InChIInChI=1S/C8H6F3IN2S/c9-8(10,11)6-4-3-15-2-1-5(4)13-7(12)14-6/h1-3H2
InChIKeyFWEJDPLHOYTODG-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine 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-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
The IUPAC name of 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine (CID 91926249) is 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
The canonical SMILES for 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine is FC(F)(F)c1nc(I)nc2c1CSCC2.
What is the InChIKey of 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
The InChIKey is FWEJDPLHOYTODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3IN2S/c9-8(10,11)6-4-3-15-2-1-5(4)13-7(12)14-6/h1-3H2.
What are the key properties of 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine?
2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine has a molecular weight of 346.12 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(trifluoromethyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine is sourced from PubChem (CID 91926249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).