4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine

C8H10ClFN2O2S — CID 116633014

IUPAC4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine
SMILESCc1nc(C(C)S(C)(=O)=O)nc(Cl)c1F
InChIInChI=1S/C8H10ClFN2O2S/c1-4-6(10)7(9)12-8(11-4)5(2)15(3,13)14/h5H,1-3H3
InChIKeyYQVGNOQWVUTARS-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.68
Rot. Bonds2

About 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine

4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine (PubChem CID 116633014) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine
PubChem CID116633014
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine
SMILESCc1nc(C(C)S(C)(=O)=O)nc(Cl)c1F
InChIInChI=1S/C8H10ClFN2O2S/c1-4-6(10)7(9)12-8(11-4)5(2)15(3,13)14/h5H,1-3H3
InChIKeyYQVGNOQWVUTARS-UHFFFAOYSA-N
XLogP1.68
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine (CID 116633014) is 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine is Cc1nc(C(C)S(C)(=O)=O)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine?
The InChIKey is YQVGNOQWVUTARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c1-4-6(10)7(9)12-8(11-4)5(2)15(3,13)14/h5H,1-3H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine has a molecular weight of 252.70 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methyl-2-(1-methylsulfonylethyl)pyrimidine is sourced from PubChem (CID 116633014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).