2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide

C10H18N4O2S — CID 72927155

IUPAC2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCc1cnc(NCCS(=O)(=O)N(C)C)nc1
InChIInChI=1S/C10H18N4O2S/c1-4-9-7-12-10(13-8-9)11-5-6-17(15,16)14(2)3/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyUHYAVFWIPBTUKW-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.34
Rot. Bonds6

About 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide

2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 72927155) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID72927155
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCCc1cnc(NCCS(=O)(=O)N(C)C)nc1
InChIInChI=1S/C10H18N4O2S/c1-4-9-7-12-10(13-8-9)11-5-6-17(15,16)14(2)3/h7-8H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyUHYAVFWIPBTUKW-UHFFFAOYSA-N
XLogP0.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide (CID 72927155) is 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide is CCc1cnc(NCCS(=O)(=O)N(C)C)nc1.
What is the InChIKey of 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is UHYAVFWIPBTUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-4-9-7-12-10(13-8-9)11-5-6-17(15,16)14(2)3/h7-8H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylpyrimidin-2-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 72927155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).