2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine

C7H7F3N2S — CID 13317020

IUPAC2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCCSc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2S/c1-2-13-6-11-3-5(4-12-6)7(8,9)10/h3-4H,2H2,1H3
InChIKeyJBCXKSQPKLVOMZ-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.61
Rot. Bonds2

About 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine

2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine (PubChem CID 13317020) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
PubChem CID13317020
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCCSc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N2S/c1-2-13-6-11-3-5(4-12-6)7(8,9)10/h3-4H,2H2,1H3
InChIKeyJBCXKSQPKLVOMZ-UHFFFAOYSA-N
XLogP2.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine (CID 13317020) is 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine is CCSc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is JBCXKSQPKLVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-2-13-6-11-3-5(4-12-6)7(8,9)10/h3-4H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine?
2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 208.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13317020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).