6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine

C12H17F2N3S — CID 114074734

IUPAC6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCSC(C)(C)C2)c(F)cc1F
InChIInChI=1S/C12H17F2N3S/c1-12(2)7-17(4-5-18-12)11-9(14)6-8(13)10(15-3)16-11/h6H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyAHOHBCHZOMRTAN-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.73
Rot. Bonds2

About 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine

6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine (PubChem CID 114074734) has the molecular formula C12H17F2N3S and a molecular weight of 273.35 g/mol. Its IUPAC name is 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine
PubChem CID114074734
Molecular FormulaC12H17F2N3S
Molecular Weight273.35 g/mol
Exact Mass273.11
IUPAC Name6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCSC(C)(C)C2)c(F)cc1F
InChIInChI=1S/C12H17F2N3S/c1-12(2)7-17(4-5-18-12)11-9(14)6-8(13)10(15-3)16-11/h6H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyAHOHBCHZOMRTAN-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine?
The IUPAC name of 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine (CID 114074734) is 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine?
The canonical SMILES for 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine is CNc1nc(N2CCSC(C)(C)C2)c(F)cc1F.
What is the InChIKey of 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine?
The InChIKey is AHOHBCHZOMRTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3S/c1-12(2)7-17(4-5-18-12)11-9(14)6-8(13)10(15-3)16-11/h6H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine?
6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine has a molecular weight of 273.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylthiomorpholin-4-yl)-3,5-difluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 114074734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).