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

C8H11F3N4O2S — CID 62145454

IUPACN-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N4O2S/c1-12-7-13-3-6(4-14-7)18(16,17)15(2)5-8(9,10)11/h3-4H,5H2,1-2H3,(H,12,13,14)
InChIKeyXVRXXBLCYVXNLT-UHFFFAOYSA-N
MW284.26 g/mol
LogP0.70
Rot. Bonds4

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

N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (PubChem CID 62145454) has the molecular formula C8H11F3N4O2S and a molecular weight of 284.26 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
PubChem CID62145454
Molecular FormulaC8H11F3N4O2S
Molecular Weight284.26 g/mol
Exact Mass284.06
IUPAC NameN-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N4O2S/c1-12-7-13-3-6(4-14-7)18(16,17)15(2)5-8(9,10)11/h3-4H,5H2,1-2H3,(H,12,13,14)
InChIKeyXVRXXBLCYVXNLT-UHFFFAOYSA-N
XLogP0.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (CID 62145454) is N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cn1.
What is the InChIKey of N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The InChIKey is XVRXXBLCYVXNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O2S/c1-12-7-13-3-6(4-14-7)18(16,17)15(2)5-8(9,10)11/h3-4H,5H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide has a molecular weight of 284.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62145454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).