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

C9H14F3N5O2S — CID 106343311

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O2S/c1-2-15-20(18,19)4-3-14-7-5-6(13)16-8(17-7)9(10,11)12/h5,15H,2-4H2,1H3,(H3,13,14,16,17)
InChIKeyVURDTRBDBFVDTH-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.43
Rot. Bonds6

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

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide (PubChem CID 106343311) 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-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
PubChem CID106343311
Molecular FormulaC9H14F3N5O2S
Molecular Weight313.31 g/mol
Exact Mass313.08
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O2S/c1-2-15-20(18,19)4-3-14-7-5-6(13)16-8(17-7)9(10,11)12/h5,15H,2-4H2,1H3,(H3,13,14,16,17)
InChIKeyVURDTRBDBFVDTH-UHFFFAOYSA-N
XLogP0.43
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.43
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-ethylethanesulfonamide?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide (CID 106343311) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide is CCNS(=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-ethylethanesulfonamide?
The InChIKey is VURDTRBDBFVDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O2S/c1-2-15-20(18,19)4-3-14-7-5-6(13)16-8(17-7)9(10,11)12/h5,15H,2-4H2,1H3,(H3,13,14,16,17).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide has a molecular weight of 313.31 g/mol, XLogP of 0.43, 6 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-ethylethanesulfonamide is sourced from PubChem (CID 106343311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).