4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine

C10H13F3N2S — CID 155380164

IUPAC4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCCSc1cc(C(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C10H13F3N2S/c1-4-16-8-5-7(10(11,12)13)14-9(15-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyQWXPKXAFYUJFEZ-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.73
Rot. Bonds3

About 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine

4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 155380164) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID155380164
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCCSc1cc(C(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C10H13F3N2S/c1-4-16-8-5-7(10(11,12)13)14-9(15-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyQWXPKXAFYUJFEZ-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine (CID 155380164) is 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine is CCSc1cc(C(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QWXPKXAFYUJFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-4-16-8-5-7(10(11,12)13)14-9(15-8)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine?
4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 250.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-propan-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 155380164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).