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

C9H14F3N5O2S — CID 106343469

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O2S/c1-17(2)20(18,19)4-3-14-7-5-6(13)15-8(16-7)9(10,11)12/h5H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyLJJSFRQDGMYYCV-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.38
Rot. Bonds5

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

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 106343469) has the molecular formula C9H14F3N5O2S and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID106343469
Molecular FormulaC9H14F3N5O2S
Molecular Weight313.31 g/mol
Exact Mass313.08
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O2S/c1-17(2)20(18,19)4-3-14-7-5-6(13)15-8(16-7)9(10,11)12/h5H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyLJJSFRQDGMYYCV-UHFFFAOYSA-N
XLogP0.38
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
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,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (CID 106343469) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is CN(C)S(=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,N-dimethylethanesulfonamide?
The InChIKey is LJJSFRQDGMYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O2S/c1-17(2)20(18,19)4-3-14-7-5-6(13)15-8(16-7)9(10,11)12/h5H,3-4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 313.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 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,N-dimethylethanesulfonamide is sourced from PubChem (CID 106343469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).