5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine

C6H8FN3O2S — CID 21077606

IUPAC5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1nc(S(C)(=O)=O)ncc1F
InChIInChI=1S/C6H8FN3O2S/c1-8-5-4(7)3-9-6(10-5)13(2,11)12/h3H,1-2H3,(H,8,9,10)
InChIKeyPEAPILQMYLGGCC-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.06
Rot. Bonds2

About 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine

5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine (PubChem CID 21077606) has the molecular formula C6H8FN3O2S and a molecular weight of 205.21 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine
PubChem CID21077606
Molecular FormulaC6H8FN3O2S
Molecular Weight205.21 g/mol
Exact Mass205.03
IUPAC Name5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1nc(S(C)(=O)=O)ncc1F
InChIInChI=1S/C6H8FN3O2S/c1-8-5-4(7)3-9-6(10-5)13(2,11)12/h3H,1-2H3,(H,8,9,10)
InChIKeyPEAPILQMYLGGCC-UHFFFAOYSA-N
XLogP0.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine (CID 21077606) is 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine is CNc1nc(S(C)(=O)=O)ncc1F.
What is the InChIKey of 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is PEAPILQMYLGGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2S/c1-8-5-4(7)3-9-6(10-5)13(2,11)12/h3H,1-2H3,(H,8,9,10).
What are the key properties of 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine?
5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 205.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 21077606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).