2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide

C9H13F3N4O2S — CID 55043115

IUPAC2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O2S/c1-3-13-8-14-4-7(5-15-8)19(17,18)16(2)6-9(10,11)12/h4-5H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyYSADDWYBKIGRFY-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.09
Rot. Bonds5

About 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (PubChem CID 55043115) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
PubChem CID55043115
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O2S/c1-3-13-8-14-4-7(5-15-8)19(17,18)16(2)6-9(10,11)12/h4-5H,3,6H2,1-2H3,(H,13,14,15)
InChIKeyYSADDWYBKIGRFY-UHFFFAOYSA-N
XLogP1.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (CID 55043115) is 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The InChIKey is YSADDWYBKIGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-3-13-8-14-4-7(5-15-8)19(17,18)16(2)6-9(10,11)12/h4-5H,3,6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 55043115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).