5-fluoro-4-methyl-2-methylsulfinylpyrimidine

C6H7FN2OS — CID 118988151

IUPAC5-fluoro-4-methyl-2-methylsulfinylpyrimidine
SMILESCc1nc(S(C)=O)ncc1F
InChIInChI=1S/C6H7FN2OS/c1-4-5(7)3-8-6(9-4)11(2)10/h3H,1-2H3
InChIKeyKOAQMEVQBVHHOL-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.66
Rot. Bonds1

About 5-fluoro-4-methyl-2-methylsulfinylpyrimidine

5-fluoro-4-methyl-2-methylsulfinylpyrimidine (PubChem CID 118988151) has the molecular formula C6H7FN2OS and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-methylsulfinylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-methylsulfinylpyrimidine
PubChem CID118988151
Molecular FormulaC6H7FN2OS
Molecular Weight174.20 g/mol
Exact Mass174.03
IUPAC Name5-fluoro-4-methyl-2-methylsulfinylpyrimidine
SMILESCc1nc(S(C)=O)ncc1F
InChIInChI=1S/C6H7FN2OS/c1-4-5(7)3-8-6(9-4)11(2)10/h3H,1-2H3
InChIKeyKOAQMEVQBVHHOL-UHFFFAOYSA-N
XLogP0.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-methylsulfinylpyrimidine?
The IUPAC name of 5-fluoro-4-methyl-2-methylsulfinylpyrimidine (CID 118988151) is 5-fluoro-4-methyl-2-methylsulfinylpyrimidine.
What is the SMILES notation for 5-fluoro-4-methyl-2-methylsulfinylpyrimidine?
The canonical SMILES for 5-fluoro-4-methyl-2-methylsulfinylpyrimidine is Cc1nc(S(C)=O)ncc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-methylsulfinylpyrimidine?
The InChIKey is KOAQMEVQBVHHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2OS/c1-4-5(7)3-8-6(9-4)11(2)10/h3H,1-2H3.
What are the key properties of 5-fluoro-4-methyl-2-methylsulfinylpyrimidine?
5-fluoro-4-methyl-2-methylsulfinylpyrimidine has a molecular weight of 174.20 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-methylsulfinylpyrimidine is sourced from PubChem (CID 118988151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).