4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine

C7H6F4N2OS — CID 13391607

IUPAC4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(SC)nc(F)c1C(F)(F)F
InChIInChI=1S/C7H6F4N2OS/c1-14-5-3(7(9,10)11)4(8)12-6(13-5)15-2/h1-2H3
InChIKeyHTYJEYQZMJIHOY-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.37
Rot. Bonds2

About 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine

4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine (PubChem CID 13391607) has the molecular formula C7H6F4N2OS and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
PubChem CID13391607
Molecular FormulaC7H6F4N2OS
Molecular Weight242.20 g/mol
Exact Mass242.01
IUPAC Name4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(SC)nc(F)c1C(F)(F)F
InChIInChI=1S/C7H6F4N2OS/c1-14-5-3(7(9,10)11)4(8)12-6(13-5)15-2/h1-2H3
InChIKeyHTYJEYQZMJIHOY-UHFFFAOYSA-N
XLogP2.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine (CID 13391607) is 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine is COc1nc(SC)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
The InChIKey is HTYJEYQZMJIHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2OS/c1-14-5-3(7(9,10)11)4(8)12-6(13-5)15-2/h1-2H3.
What are the key properties of 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine has a molecular weight of 242.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-methylsulfanyl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13391607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).