ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate

C11H18N4O2S — CID 80923701

IUPACethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1ncnc(NN)c1C(C)C
InChIInChI=1S/C11H18N4O2S/c1-4-17-8(16)5-18-11-9(7(2)3)10(15-12)13-6-14-11/h6-7H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyFBDQHDGWHHFDDI-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.54
Rot. Bonds6

About ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate

ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate (PubChem CID 80923701) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate
PubChem CID80923701
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nameethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1ncnc(NN)c1C(C)C
InChIInChI=1S/C11H18N4O2S/c1-4-17-8(16)5-18-11-9(7(2)3)10(15-12)13-6-14-11/h6-7H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyFBDQHDGWHHFDDI-UHFFFAOYSA-N
XLogP1.54
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.54
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-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate
CID 80885711
ethyl 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetate
CID 56662168
[6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923681
[6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80931234
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903053
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
CID 80915942
N-ethyl-2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80905620
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80902394
ethyl 2-(2-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 80922675
ethyl 2-(2,9,12,14,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-15-ylsulfanyl)acetate
CID 102504725
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate (CID 80923701) is ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate is CCOC(=O)CSc1ncnc(NN)c1C(C)C.
What is the InChIKey of ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is FBDQHDGWHHFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-4-17-8(16)5-18-11-9(7(2)3)10(15-12)13-6-14-11/h6-7H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate?
ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 270.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 80923701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).