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

C10H16F3N5O2S — CID 106343163

IUPAC2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCCNc1cc(NCCS(=O)(=O)NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O2S/c1-3-15-7-6-8(16-4-5-21(19,20)14-2)18-9(17-7)10(11,12)13/h6,14H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyMUGZAOJUEAENAM-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.89
Rot. Bonds7

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

2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (PubChem CID 106343163) has the molecular formula C10H16F3N5O2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
PubChem CID106343163
Molecular FormulaC10H16F3N5O2S
Molecular Weight327.33 g/mol
Exact Mass327.10
IUPAC Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
SMILESCCNc1cc(NCCS(=O)(=O)NC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O2S/c1-3-15-7-6-8(16-4-5-21(19,20)14-2)18-9(17-7)10(11,12)13/h6,14H,3-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyMUGZAOJUEAENAM-UHFFFAOYSA-N
XLogP0.89
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide (CID 106343163) is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is CCNc1cc(NCCS(=O)(=O)NC)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
The InChIKey is MUGZAOJUEAENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2S/c1-3-15-7-6-8(16-4-5-21(19,20)14-2)18-9(17-7)10(11,12)13/h6,14H,3-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide?
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide has a molecular weight of 327.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106343163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).