2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide

C12H22N4O2S — CID 75436342

IUPAC2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNc1ncc(C)c(C)n1
InChIInChI=1S/C12H22N4O2S/c1-5-16(6-2)19(17,18)8-7-13-12-14-9-10(3)11(4)15-12/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyHDIMNMGSVLKWIE-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.18
Rot. Bonds7

About 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide

2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide (PubChem CID 75436342) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide.

Molecular Properties

Compound Name2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide
PubChem CID75436342
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNc1ncc(C)c(C)n1
InChIInChI=1S/C12H22N4O2S/c1-5-16(6-2)19(17,18)8-7-13-12-14-9-10(3)11(4)15-12/h9H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyHDIMNMGSVLKWIE-UHFFFAOYSA-N
XLogP1.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide?
The IUPAC name of 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide (CID 75436342) is 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide.
What is the SMILES notation for 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide?
The canonical SMILES for 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide is CCN(CC)S(=O)(=O)CCNc1ncc(C)c(C)n1.
What is the InChIKey of 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide?
The InChIKey is HDIMNMGSVLKWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-16(6-2)19(17,18)8-7-13-12-14-9-10(3)11(4)15-12/h9H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide?
2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide is sourced from PubChem (CID 75436342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).