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

C9H15F3N6O2S — CID 106341116

IUPACN-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H15F3N6O2S/c1-2-15-21(19,20)4-3-14-6-5-7(18-13)17-8(16-6)9(10,11)12/h5,15H,2-4,13H2,1H3,(H2,14,16,17,18)
InChIKeyHDYQSWCHEIEOOG-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.13
Rot. Bonds7

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

N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 106341116) has the molecular formula C9H15F3N6O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID106341116
Molecular FormulaC9H15F3N6O2S
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC NameN-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H15F3N6O2S/c1-2-15-21(19,20)4-3-14-6-5-7(18-13)17-8(16-6)9(10,11)12/h5,15H,2-4,13H2,1H3,(H2,14,16,17,18)
InChIKeyHDYQSWCHEIEOOG-UHFFFAOYSA-N
XLogP0.13
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106343345
6-hydrazinyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775730
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343405
6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776163
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341663
6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775695
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
N-[(1-ethylcyclopropyl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 114102594
N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 106775656
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide (CID 106341116) is N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is CCNS(=O)(=O)CCNc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is HDYQSWCHEIEOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N6O2S/c1-2-15-21(19,20)4-3-14-6-5-7(18-13)17-8(16-6)9(10,11)12/h5,15H,2-4,13H2,1H3,(H2,14,16,17,18).
What are the key properties of N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide?
N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 328.32 g/mol, XLogP of 0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 106341116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).