2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide

C9H18N6O2S — CID 80906224

IUPAC2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCCc1c(NN)ncnc1NCCS(N)(=O)=O
InChIInChI=1S/C9H18N6O2S/c1-2-3-7-8(12-4-5-18(11,16)17)13-6-14-9(7)15-10/h6H,2-5,10H2,1H3,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyLXJDXWSCJKPIIT-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.58
Rot. Bonds7

About 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide

2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 80906224) has the molecular formula C9H18N6O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID80906224
Molecular FormulaC9H18N6O2S
Molecular Weight274.35 g/mol
Exact Mass274.12
IUPAC Name2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCCc1c(NN)ncnc1NCCS(N)(=O)=O
InChIInChI=1S/C9H18N6O2S/c1-2-3-7-8(12-4-5-18(11,16)17)13-6-14-9(7)15-10/h6H,2-5,10H2,1H3,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyLXJDXWSCJKPIIT-UHFFFAOYSA-N
XLogP-0.58
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
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

2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethanesulfonamide
CID 80787854
N-[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80907618
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
CID 106412478
N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80899023
6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80908147
6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80910998
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
CID 66340107
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide (CID 80906224) is 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide is CCCc1c(NN)ncnc1NCCS(N)(=O)=O.
What is the InChIKey of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is LXJDXWSCJKPIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2S/c1-2-3-7-8(12-4-5-18(11,16)17)13-6-14-9(7)15-10/h6H,2-5,10H2,1H3,(H2,11,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide?
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.58, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 80906224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).