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

C10H15F3N4O3S — CID 63832358

IUPAC2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O3S/c1-2-14-9-15-5-8(6-16-9)21(18,19)17-3-4-20-7-10(11,12)13/h5-6,17H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyYBMVJULIKAQZBL-UHFFFAOYSA-N
MW328.32 g/mol
LogP0.77
Rot. Bonds8

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

2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide (PubChem CID 63832358) has the molecular formula C10H15F3N4O3S and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
PubChem CID63832358
Molecular FormulaC10H15F3N4O3S
Molecular Weight328.32 g/mol
Exact Mass328.08
IUPAC Name2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1
InChIInChI=1S/C10H15F3N4O3S/c1-2-14-9-15-5-8(6-16-9)21(18,19)17-3-4-20-7-10(11,12)13/h5-6,17H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyYBMVJULIKAQZBL-UHFFFAOYSA-N
XLogP0.77
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 50.77
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-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-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide (CID 63832358) is 2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is YBMVJULIKAQZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O3S/c1-2-14-9-15-5-8(6-16-9)21(18,19)17-3-4-20-7-10(11,12)13/h5-6,17H,2-4,7H2,1H3,(H,14,15,16).
What are the key properties of 2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide?
2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 328.32 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 63832358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).