4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

C6H4F3IN2S — CID 10567677

IUPAC4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(I)cc(C(F)(F)F)n1
InChIInChI=1S/C6H4F3IN2S/c1-13-5-11-3(6(7,8)9)2-4(10)12-5/h2H,1H3
InChIKeyZZCVBLGYBZECOB-UHFFFAOYSA-N
MW320.08 g/mol
LogP2.82
Rot. Bonds1

About 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine

4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (PubChem CID 10567677) has the molecular formula C6H4F3IN2S and a molecular weight of 320.08 g/mol. Its IUPAC name is 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
PubChem CID10567677
Molecular FormulaC6H4F3IN2S
Molecular Weight320.08 g/mol
Exact Mass319.91
IUPAC Name4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
SMILESCSc1nc(I)cc(C(F)(F)F)n1
InChIInChI=1S/C6H4F3IN2S/c1-13-5-11-3(6(7,8)9)2-4(10)12-5/h2H,1H3
InChIKeyZZCVBLGYBZECOB-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine (CID 10567677) is 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is CSc1nc(I)cc(C(F)(F)F)n1.
What is the InChIKey of 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is ZZCVBLGYBZECOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IN2S/c1-13-5-11-3(6(7,8)9)2-4(10)12-5/h2H,1H3.
What are the key properties of 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine?
4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 320.08 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 10567677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).