2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide

C10H17N3O3S — CID 123558214

IUPAC2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide
SMILESCc1cc(C)nc(OCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C10H17N3O3S/c1-8-7-9(2)12-10(11-8)16-5-6-17(14,15)13(3)4/h7H,5-6H2,1-4H3
InChIKeyPGDGCQRLHMDGKK-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.36
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide

2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide (PubChem CID 123558214) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide
PubChem CID123558214
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide
SMILESCc1cc(C)nc(OCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C10H17N3O3S/c1-8-7-9(2)12-10(11-8)16-5-6-17(14,15)13(3)4/h7H,5-6H2,1-4H3
InChIKeyPGDGCQRLHMDGKK-UHFFFAOYSA-N
XLogP0.36
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide 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-(2-Ethanesulfonyl-ethylsulfanyl)-4,6-dimethyl-pyrimidine
CID 656348
2-Ethoxy-4,6-dimethylpyrimidine
CID 572772
4,6-Dimethyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 1455375
4,6-Dimethyl-2-((1-((3,3,3-trifluoropropyl)sulfonyl)pyrrolidin-3-yl)oxy)pyrimidine
CID 119100370
2-[(3S)-1-ethylsulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355518
2-[(3S)-1-cyclohexylsulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 164630886
Ethyl trifluoromethanesulfonate;2,4,6-trimethylpyrimidine
CID 91569075
(4,6-Dimethylpyrimidin-2-yl) fluoromethanesulfonate
CID 139944853
4-[4-[Fluoro(methylsulfonyl)methyl]-6-methylpyrimidin-2-yl]morpholine
CID 145100395
4,6-Dimethyl-2-((1-((3,3,3-trifluoropropyl)sulfonyl)piperidin-3-yl)oxy)pyrimidine
CID 122258222
4,6-dimethyl-2-[(3R)-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
CID 129356368
4,6-dimethyl-2-[(3S)-1-(3,3,3-trifluoropropylsulfonyl)pyrrolidin-3-yl]oxypyrimidine
CID 129356369

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide (CID 123558214) is 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide is Cc1cc(C)nc(OCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide?
The InChIKey is PGDGCQRLHMDGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-7-9(2)12-10(11-8)16-5-6-17(14,15)13(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide?
2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)oxy-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 123558214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).