N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide

C9H14F3N5O2S — CID 106343260

IUPACN-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCNc1nc(NCCS(=O)(=O)NC)cc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O2S/c1-13-8-16-6(9(10,11)12)5-7(17-8)15-3-4-20(18,19)14-2/h5,14H,3-4H2,1-2H3,(H2,13,15,16,17)
InChIKeyWWILTTKQWQMAGQ-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.50
Rot. Bonds6

About N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide

N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106343260) has the molecular formula C9H14F3N5O2S and a molecular weight of 313.31 g/mol. Its IUPAC name is N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106343260
Molecular FormulaC9H14F3N5O2S
Molecular Weight313.31 g/mol
Exact Mass313.08
IUPAC NameN-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCNc1nc(NCCS(=O)(=O)NC)cc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O2S/c1-13-8-16-6(9(10,11)12)5-7(17-8)15-3-4-20(18,19)14-2/h5,14H,3-4H2,1-2H3,(H2,13,15,16,17)
InChIKeyWWILTTKQWQMAGQ-UHFFFAOYSA-N
XLogP0.50
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127
4-N-(3,3-dimethylbutyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565969
N-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethanesulfonamide
CID 106343111
2-N-methyl-4-N-(3-methylsulfinylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565868
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563903
2-N-methyl-4-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564539
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666
N-tert-butyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114565571
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 114564759
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563917

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (CID 106343260) is N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is CNc1nc(NCCS(=O)(=O)NC)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is WWILTTKQWQMAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O2S/c1-13-8-16-6(9(10,11)12)5-7(17-8)15-3-4-20(18,19)14-2/h5,14H,3-4H2,1-2H3,(H2,13,15,16,17).
What are the key properties of N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 313.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).