ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate

C8H12N4O2S — CID 80922675

IUPACethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1ccnc(NN)n1
InChIInChI=1S/C8H12N4O2S/c1-2-14-7(13)5-15-6-3-4-10-8(11-6)12-9/h3-4H,2,5,9H2,1H3,(H,10,11,12)
InChIKeyGWHKVEJRRZDFRJ-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.42
Rot. Bonds5

About ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate

ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate (PubChem CID 80922675) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
PubChem CID80922675
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Nameethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1ccnc(NN)n1
InChIInChI=1S/C8H12N4O2S/c1-2-14-7(13)5-15-6-3-4-10-8(11-6)12-9/h3-4H,2,5,9H2,1H3,(H,10,11,12)
InChIKeyGWHKVEJRRZDFRJ-UHFFFAOYSA-N
XLogP0.42
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
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

ethyl 2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanylacetate
CID 80922929
ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
CID 141154570
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
CID 71304250
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
2-(2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80922325
ethyl 3-(2-aminopyrimidin-4-yl)sulfanylpropanoate
CID 166660845
ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 80923874
ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885994
ethyl 2-[4-(4-methyl-2-pyridinyl)pyrimidin-2-yl]sulfanylacetate
CID 58904976
ethyl 2-(6-aminoquinolin-2-yl)sulfanylacetate
CID 43618250
methyl 5-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyridine-4-carboxylate
CID 114090864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate (CID 80922675) is ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate is CCOC(=O)CSc1ccnc(NN)n1.
What is the InChIKey of ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is GWHKVEJRRZDFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-2-14-7(13)5-15-6-3-4-10-8(11-6)12-9/h3-4H,2,5,9H2,1H3,(H,10,11,12).
What are the key properties of ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate?
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 228.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 80922675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).