N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide

C8H10ClF3N4O2S — CID 114562262

IUPACN-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H10ClF3N4O2S/c1-19(17,18)14-3-2-13-6-4-5(8(10,11)12)15-7(9)16-6/h4,14H,2-3H2,1H3,(H,13,15,16)
InChIKeyCSBINNUZGLRRAX-UHFFFAOYSA-N
MW318.71 g/mol
LogP1.11
Rot. Bonds5

About N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 114562262) has the molecular formula C8H10ClF3N4O2S and a molecular weight of 318.71 g/mol. Its IUPAC name is N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID114562262
Molecular FormulaC8H10ClF3N4O2S
Molecular Weight318.71 g/mol
Exact Mass318.02
IUPAC NameN-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C8H10ClF3N4O2S/c1-19(17,18)14-3-2-13-6-4-5(8(10,11)12)15-7(9)16-6/h4,14H,2-3H2,1H3,(H,13,15,16)
InChIKeyCSBINNUZGLRRAX-UHFFFAOYSA-N
XLogP1.11
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127
2-chloro-N-(4-methoxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562485
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114131009
2-chloro-N-[2-(2-methylpropoxy)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562937
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 62870440
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide
CID 114562271
2-chloro-N-(4-propan-2-yloxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106013798
2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114174544
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (CID 114562262) is N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is CSBINNUZGLRRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N4O2S/c1-19(17,18)14-3-2-13-6-4-5(8(10,11)12)15-7(9)16-6/h4,14H,2-3H2,1H3,(H,13,15,16).
What are the key properties of N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 318.71 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 114562262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).