6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine

C8H12FN3O2S — CID 115417074

IUPAC6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
SMILESCC(CS(C)(=O)=O)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3O2S/c1-6(4-15(2,13)14)12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,10,11,12)
InChIKeyBHGPRGHAFZJSFC-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.46
Rot. Bonds4

About 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine

6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine (PubChem CID 115417074) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
PubChem CID115417074
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine
SMILESCC(CS(C)(=O)=O)Nc1cc(F)ncn1
InChIInChI=1S/C8H12FN3O2S/c1-6(4-15(2,13)14)12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,10,11,12)
InChIKeyBHGPRGHAFZJSFC-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 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine (CID 115417074) is 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine is CC(CS(C)(=O)=O)Nc1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is BHGPRGHAFZJSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-6(4-15(2,13)14)12-8-3-7(9)10-5-11-8/h3,5-6H,4H2,1-2H3,(H,10,11,12).
What are the key properties of 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine?
6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-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 6-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 115417074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).