methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate

C10H16N4O2S — CID 80940205

IUPACmethyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
SMILESCCc1nc(NN)cc(SCCC(=O)OC)n1
InChIInChI=1S/C10H16N4O2S/c1-3-7-12-8(14-11)6-9(13-7)17-5-4-10(15)16-2/h6H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyIZLUWYZDINTQFW-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.98
Rot. Bonds6

About methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate

methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate (PubChem CID 80940205) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
PubChem CID80940205
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Namemethyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
SMILESCCc1nc(NN)cc(SCCC(=O)OC)n1
InChIInChI=1S/C10H16N4O2S/c1-3-7-12-8(14-11)6-9(13-7)17-5-4-10(15)16-2/h6H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyIZLUWYZDINTQFW-UHFFFAOYSA-N
XLogP0.98
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.98
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

methyl 3-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]sulfanylpropanoate
CID 113402006
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339
3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80938523
methyl 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanylacetate
CID 80937418
methyl 3-(2-amino-6-methylpyrimidin-4-yl)sulfanylpropanoate
CID 112724335
methyl 3-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylpropanoate
CID 80885615
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
methyl 3-(6-amino-2-tert-butylpyrimidin-4-yl)sulfanylpropanoate
CID 80963243
2-ethyl-N-methyl-6-propylsulfanylpyrimidin-4-amine
CID 80937028
methyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 40669544
[2-ethyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766316
methyl 3-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanoate
CID 114566747

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate?
The IUPAC name of methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate (CID 80940205) is methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate.
What is the SMILES notation for methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate?
The canonical SMILES for methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate is CCc1nc(NN)cc(SCCC(=O)OC)n1.
What is the InChIKey of methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate?
The InChIKey is IZLUWYZDINTQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-7-12-8(14-11)6-9(13-7)17-5-4-10(15)16-2/h6H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate?
methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate has a molecular weight of 256.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethyl-6-hydrazinylpyrimidin-4-yl)sulfanylpropanoate is sourced from PubChem (CID 80940205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).