2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide

C9H13F3N4O3S — CID 63833419

IUPAC2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O3S/c1-13-8-14-4-7(5-15-8)20(17,18)16-2-3-19-6-9(10,11)12/h4-5,16H,2-3,6H2,1H3,(H,13,14,15)
InChIKeyFOBDAFVCIZKZRH-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.38
Rot. Bonds7

About 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide

2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide (PubChem CID 63833419) has the molecular formula C9H13F3N4O3S and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
PubChem CID63833419
Molecular FormulaC9H13F3N4O3S
Molecular Weight314.29 g/mol
Exact Mass314.07
IUPAC Name2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O3S/c1-13-8-14-4-7(5-15-8)20(17,18)16-2-3-19-6-9(10,11)12/h4-5,16H,2-3,6H2,1H3,(H,13,14,15)
InChIKeyFOBDAFVCIZKZRH-UHFFFAOYSA-N
XLogP0.38
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N,N-dimethylpyrimidine-5-sulfonamide
CID 62150682
2-(Difluoromethoxy)pyrimidine-5-sulfonamide
CID 19091295
N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 66730592
N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
CID 67616179
N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
CID 68760264
2-chloro-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 87129605
N-[2,2,2-trifluoro-1-(propoxyamino)ethoxy]pyrimidine-5-sulfonamide
CID 141793555
2-[1-(Ethylamino)-2,2,2-trifluoroethoxy]pyrimidine-5-sulfonamide
CID 141793562
4-amino-N-propylpyrimidine-5-sulfonamide
CID 129709079
2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 43456453
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 55010752
2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 55043115

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide (CID 63833419) is 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1.
What is the InChIKey of 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is FOBDAFVCIZKZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3S/c1-13-8-14-4-7(5-15-8)20(17,18)16-2-3-19-6-9(10,11)12/h4-5,16H,2-3,6H2,1H3,(H,13,14,15).
What are the key properties of 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 314.29 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 63833419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).