3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide

C8H16N6O2S — CID 80903168

IUPAC3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
SMILESCc1nc(NN)cc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C8H16N6O2S/c1-6-12-7(5-8(13-6)14-9)11-3-2-4-17(10,15)16/h5H,2-4,9H2,1H3,(H2,10,15,16)(H2,11,12,13,14)
InChIKeyZOVOTCKDMXREQI-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.84
Rot. Bonds6

About 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide

3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide (PubChem CID 80903168) has the molecular formula C8H16N6O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
PubChem CID80903168
Molecular FormulaC8H16N6O2S
Molecular Weight260.32 g/mol
Exact Mass260.11
IUPAC Name3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
SMILESCc1nc(NN)cc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C8H16N6O2S/c1-6-12-7(5-8(13-6)14-9)11-3-2-4-17(10,15)16/h5H,2-4,9H2,1H3,(H2,10,15,16)(H2,11,12,13,14)
InChIKeyZOVOTCKDMXREQI-UHFFFAOYSA-N
XLogP-0.84
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80934884
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
6-hydrazinyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80928670
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
CID 106549682
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903463
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 114564759

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide (CID 80903168) is 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide is Cc1nc(NN)cc(NCCCS(N)(=O)=O)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide?
The InChIKey is ZOVOTCKDMXREQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2S/c1-6-12-7(5-8(13-6)14-9)11-3-2-4-17(10,15)16/h5H,2-4,9H2,1H3,(H2,10,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide?
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.84, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 80903168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).