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

C10H16F3N5O2S — CID 106343591

IUPACN,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCNc1cc(NCCS(=O)(=O)N(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O2S/c1-14-7-6-8(17-9(16-7)10(11,12)13)15-4-5-21(19,20)18(2)3/h6H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyMJINXBYNHISTCJ-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.84
Rot. Bonds6

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

N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106343591) has the molecular formula C10H16F3N5O2S and a molecular weight of 327.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106343591
Molecular FormulaC10H16F3N5O2S
Molecular Weight327.33 g/mol
Exact Mass327.10
IUPAC NameN,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCNc1cc(NCCS(=O)(=O)N(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O2S/c1-14-7-6-8(17-9(16-7)10(11,12)13)15-4-5-21(19,20)18(2)3/h6H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyMJINXBYNHISTCJ-UHFFFAOYSA-N
XLogP0.84
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (CID 106343591) is N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is CNc1cc(NCCS(=O)(=O)N(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is MJINXBYNHISTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2S/c1-14-7-6-8(17-9(16-7)10(11,12)13)15-4-5-21(19,20)18(2)3/h6H,4-5H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 327.33 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).