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

C8H11F3N4O3S — CID 63834488

IUPAC2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N4O3S/c9-8(10,11)5-18-2-1-15-19(16,17)6-3-13-7(12)14-4-6/h3-4,15H,1-2,5H2,(H2,12,13,14)
InChIKeyNRUYJKBBTZFBRY-UHFFFAOYSA-N
MW300.26 g/mol
LogP-0.08
Rot. Bonds6

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

2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide (PubChem CID 63834488) has the molecular formula C8H11F3N4O3S and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
PubChem CID63834488
Molecular FormulaC8H11F3N4O3S
Molecular Weight300.26 g/mol
Exact Mass300.05
IUPAC Name2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C8H11F3N4O3S/c9-8(10,11)5-18-2-1-15-19(16,17)6-3-13-7(12)14-4-6/h3-4,15H,1-2,5H2,(H2,12,13,14)
InChIKeyNRUYJKBBTZFBRY-UHFFFAOYSA-N
XLogP-0.08
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-pyrimidinesulfonamide
CID 53420996
2-amino-N,N-dimethylpyrimidine-5-sulfonamide
CID 62150682
2-Fluoropyrimidine-5-sulfonamide
CID 17804387
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
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide (CID 63834488) is 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide is Nc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1.
What is the InChIKey of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is NRUYJKBBTZFBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O3S/c9-8(10,11)5-18-2-1-15-19(16,17)6-3-13-7(12)14-4-6/h3-4,15H,1-2,5H2,(H2,12,13,14).
What are the key properties of 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 63834488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).