5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C8H6F3N3S — CID 134587723

IUPAC5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCSc1nc(C(F)(F)F)cc2nccn12
InChIInChI=1S/C8H6F3N3S/c1-15-7-13-5(8(9,10)11)4-6-12-2-3-14(6)7/h2-4H,1H3
InChIKeyYBMACBZIMHXMSZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.47
Rot. Bonds1

About 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 134587723) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID134587723
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCSc1nc(C(F)(F)F)cc2nccn12
InChIInChI=1S/C8H6F3N3S/c1-15-7-13-5(8(9,10)11)4-6-12-2-3-14(6)7/h2-4H,1H3
InChIKeyYBMACBZIMHXMSZ-UHFFFAOYSA-N
XLogP2.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]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 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 134587723) is 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CSc1nc(C(F)(F)F)cc2nccn12.
What is the InChIKey of 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is YBMACBZIMHXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-15-7-13-5(8(9,10)11)4-6-12-2-3-14(6)7/h2-4H,1H3.
What are the key properties of 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 233.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 134587723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).