5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine

C8H12FN3O2S — CID 115750151

IUPAC5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
SMILESCC(CS(C)(=O)=O)Nc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O2S/c1-6(5-15(2,13)14)12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3,(H,10,11,12)
InChIKeyDWGQJMMENXSOKI-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.46
Rot. Bonds4

About 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine

5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine (PubChem CID 115750151) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
PubChem CID115750151
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
SMILESCC(CS(C)(=O)=O)Nc1ncc(F)cn1
InChIInChI=1S/C8H12FN3O2S/c1-6(5-15(2,13)14)12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3,(H,10,11,12)
InChIKeyDWGQJMMENXSOKI-UHFFFAOYSA-N
XLogP0.46
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine (CID 115750151) is 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine is CC(CS(C)(=O)=O)Nc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is DWGQJMMENXSOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-6(5-15(2,13)14)12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine?
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 115750151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).