N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide

C9H17N5O2S — CID 114176091

IUPACN,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCNc1cc(NCCS(=O)(=O)N(C)C)ncn1
InChIInChI=1S/C9H17N5O2S/c1-10-8-6-9(13-7-12-8)11-4-5-17(15,16)14(2)3/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyHDHYRROQMZWUKI-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.18
Rot. Bonds6

About N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide

N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 114176091) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID114176091
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC NameN,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCNc1cc(NCCS(=O)(=O)N(C)C)ncn1
InChIInChI=1S/C9H17N5O2S/c1-10-8-6-9(13-7-12-8)11-4-5-17(15,16)14(2)3/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyHDHYRROQMZWUKI-UHFFFAOYSA-N
XLogP-0.18
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341141
N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343096
N,N-dimethyl-2-[(4-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 106338668
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691
N,N-dimethyl-2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]ethanesulfonamide
CID 106343456
N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide
CID 106339179
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655
N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326
N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 106343460
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide (CID 114176091) is N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide is CNc1cc(NCCS(=O)(=O)N(C)C)ncn1.
What is the InChIKey of N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is HDHYRROQMZWUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-10-8-6-9(13-7-12-8)11-4-5-17(15,16)14(2)3/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 114176091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).