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

C8H12F3N5O2S — CID 106770814

IUPACN-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O2S/c1-19(17,18)14-3-2-13-6-4-5(12)15-7(16-6)8(9,10)11/h4,14H,2-3H2,1H3,(H3,12,13,15,16)
InChIKeyMJRYBICPTIUVMS-UHFFFAOYSA-N
MW299.28 g/mol
LogP0.04
Rot. Bonds5

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

N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 106770814) has the molecular formula C8H12F3N5O2S and a molecular weight of 299.28 g/mol. Its IUPAC name is N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID106770814
Molecular FormulaC8H12F3N5O2S
Molecular Weight299.28 g/mol
Exact Mass299.07
IUPAC NameN-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O2S/c1-19(17,18)14-3-2-13-6-4-5(12)15-7(16-6)8(9,10)11/h4,14H,2-3H2,1H3,(H3,12,13,15,16)
InChIKeyMJRYBICPTIUVMS-UHFFFAOYSA-N
XLogP0.04
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80967424
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771783
N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127
N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 78988761
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
2-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 106771755
4-N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772050
4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770416
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106343345

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (CID 106770814) is N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is MJRYBICPTIUVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O2S/c1-19(17,18)14-3-2-13-6-4-5(12)15-7(16-6)8(9,10)11/h4,14H,2-3H2,1H3,(H3,12,13,15,16).
What are the key properties of N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 299.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 106770814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).