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

C8H12F3N5O2S — CID 106343114

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O2S/c1-13-19(17,18)3-2-14-6-4-5(12)15-7(16-6)8(9,10)11/h4,13H,2-3H2,1H3,(H3,12,14,15,16)
InChIKeyAZHJJHMWKVISPC-UHFFFAOYSA-N
MW299.28 g/mol
LogP0.04
Rot. Bonds5

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

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (PubChem CID 106343114) has the molecular formula C8H12F3N5O2S and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
PubChem CID106343114
Molecular FormulaC8H12F3N5O2S
Molecular Weight299.28 g/mol
Exact Mass299.07
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5O2S/c1-13-19(17,18)3-2-14-6-4-5(12)15-7(16-6)8(9,10)11/h4,13H,2-3H2,1H3,(H3,12,14,15,16)
InChIKeyAZHJJHMWKVISPC-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (CID 106343114) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The InChIKey is AZHJJHMWKVISPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O2S/c1-13-19(17,18)3-2-14-6-4-5(12)15-7(16-6)8(9,10)11/h4,13H,2-3H2,1H3,(H3,12,14,15,16).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide 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 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106343114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).