4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine

C9H10ClF3N2S — CID 106768616

IUPAC4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)Sc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2S/c1-8(2,3)16-6-4-5(10)14-7(15-6)9(11,12)13/h4H,1-3H3
InChIKeyHPFJERIRLBVJNR-UHFFFAOYSA-N
MW270.71 g/mol
LogP4.04
Rot. Bonds1

About 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine

4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine (PubChem CID 106768616) has the molecular formula C9H10ClF3N2S and a molecular weight of 270.71 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine
PubChem CID106768616
Molecular FormulaC9H10ClF3N2S
Molecular Weight270.71 g/mol
Exact Mass270.02
IUPAC Name4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)Sc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H10ClF3N2S/c1-8(2,3)16-6-4-5(10)14-7(15-6)9(11,12)13/h4H,1-3H3
InChIKeyHPFJERIRLBVJNR-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine (CID 106768616) is 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine is CC(C)(C)Sc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine?
The InChIKey is HPFJERIRLBVJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2S/c1-8(2,3)16-6-4-5(10)14-7(15-6)9(11,12)13/h4H,1-3H3.
What are the key properties of 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine?
4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine has a molecular weight of 270.71 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-6-chloro-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).