ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate

C9H14N4O2S — CID 80923704

IUPACethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(NN)nc(C)n1
InChIInChI=1S/C9H14N4O2S/c1-3-15-9(14)5-16-8-4-7(13-10)11-6(2)12-8/h4H,3,5,10H2,1-2H3,(H,11,12,13)
InChIKeyXOVYTOWSJCLTFW-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.73
Rot. Bonds5

About ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate

ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate (PubChem CID 80923704) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
PubChem CID80923704
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Nameethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(NN)nc(C)n1
InChIInChI=1S/C9H14N4O2S/c1-3-15-9(14)5-16-8-4-7(13-10)11-6(2)12-8/h4H,3,5,10H2,1-2H3,(H,11,12,13)
InChIKeyXOVYTOWSJCLTFW-UHFFFAOYSA-N
XLogP0.73
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.73
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 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
(6-butylsulfanyl-2-methylpyrimidin-4-yl)hydrazine
CID 80921659
methyl 2-(6-amino-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80886623
tert-butyl 2-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 116688414
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 80922675
ethyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885994
[6-(cyclopentylmethylsulfanyl)-2-methylpyrimidin-4-yl]hydrazine
CID 80930090
ethyl 2-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylacetate
CID 80950959
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
CID 80940205
methyl 3-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]sulfanylpropanoate
CID 113402006

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate (CID 80923704) is ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate is CCOC(=O)CSc1cc(NN)nc(C)n1.
What is the InChIKey of ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is XOVYTOWSJCLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-3-15-9(14)5-16-8-4-7(13-10)11-6(2)12-8/h4H,3,5,10H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate?
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 242.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 80923704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).