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

C10H16F3N5O2S — CID 106343433

IUPACN-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O2S/c1-3-16-21(19,20)5-4-15-8-6-7(14-2)17-9(18-8)10(11,12)13/h6,16H,3-5H2,1-2H3,(H2,14,15,17,18)
InChIKeyNCDXYOINBYOUNK-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.89
Rot. Bonds7

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

N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106343433) has the molecular formula C10H16F3N5O2S and a molecular weight of 327.33 g/mol. Its IUPAC name is N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106343433
Molecular FormulaC10H16F3N5O2S
Molecular Weight327.33 g/mol
Exact Mass327.10
IUPAC NameN-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O2S/c1-3-16-21(19,20)5-4-15-8-6-7(14-2)17-9(18-8)10(11,12)13/h6,16H,3-5H2,1-2H3,(H2,14,15,17,18)
InChIKeyNCDXYOINBYOUNK-UHFFFAOYSA-N
XLogP0.89
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (CID 106343433) is N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is NCDXYOINBYOUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2S/c1-3-16-21(19,20)5-4-15-8-6-7(14-2)17-9(18-8)10(11,12)13/h6,16H,3-5H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 327.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106343433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).