2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide

C10H20N6O3S — CID 106341151

IUPAC2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCOCc1nc(NN)cc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C10H20N6O3S/c1-16(2)20(17,18)5-4-12-8-6-9(15-11)14-10(13-8)7-19-3/h6H,4-5,7,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyNVNZIENFZFBTEK-UHFFFAOYSA-N
MW304.38 g/mol
LogP-0.79
Rot. Bonds8

About 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide

2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 106341151) has the molecular formula C10H20N6O3S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID106341151
Molecular FormulaC10H20N6O3S
Molecular Weight304.38 g/mol
Exact Mass304.13
IUPAC Name2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCOCc1nc(NN)cc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C10H20N6O3S/c1-16(2)20(17,18)5-4-12-8-6-9(15-11)14-10(13-8)7-19-3/h6H,4-5,7,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyNVNZIENFZFBTEK-UHFFFAOYSA-N
XLogP-0.79
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341141
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596
6-hydrazinyl-2-(methoxymethyl)-N-(2-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 104767519
3-[2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311903
5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 113401871
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298
6-hydrazinyl-2-(methoxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 106106909
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565
2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106341586
N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176091
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341167
N-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80937853

Frequently Asked Questions

What is the IUPAC name of 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (CID 106341151) is 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is COCc1nc(NN)cc(NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is NVNZIENFZFBTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O3S/c1-16(2)20(17,18)5-4-12-8-6-9(15-11)14-10(13-8)7-19-3/h6H,4-5,7,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 304.38 g/mol, XLogP of -0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106341151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).