2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

C8H16N6O2S — CID 106341141

IUPAC2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(NN)ncn1
InChIInChI=1S/C8H16N6O2S/c1-14(2)17(15,16)4-3-10-7-5-8(13-9)12-6-11-7/h5-6H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyDSCWZQKQIFYGAA-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.93
Rot. Bonds6

About 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide

2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (PubChem CID 106341141) has the molecular formula C8H16N6O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
PubChem CID106341141
Molecular FormulaC8H16N6O2S
Molecular Weight260.32 g/mol
Exact Mass260.11
IUPAC Name2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(NN)ncn1
InChIInChI=1S/C8H16N6O2S/c1-14(2)17(15,16)4-3-10-7-5-8(13-9)12-6-11-7/h5-6H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyDSCWZQKQIFYGAA-UHFFFAOYSA-N
XLogP-0.93
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176091
2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341151
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
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
N-methyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343096
2-[(6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83118066
N,N-dimethyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]ethanesulfonamide
CID 106339179
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide (CID 106341141) is 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1cc(NN)ncn1.
What is the InChIKey of 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
The InChIKey is DSCWZQKQIFYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2S/c1-14(2)17(15,16)4-3-10-7-5-8(13-9)12-6-11-7/h5-6H,3-4,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide?
2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106341141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).