ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate

C10H13N3O3S — CID 2824807

IUPACethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1ncccn1
InChIInChI=1S/C10H13N3O3S/c1-2-16-9(15)6-13-8(14)7-17-10-11-4-3-5-12-10/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyZQBJLZOAHDZFOX-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.25
Rot. Bonds6

About ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate

ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate (PubChem CID 2824807) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate
PubChem CID2824807
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Nameethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1ncccn1
InChIInChI=1S/C10H13N3O3S/c1-2-16-9(15)6-13-8(14)7-17-10-11-4-3-5-12-10/h3-5H,2,6-7H2,1H3,(H,13,14)
InChIKeyZQBJLZOAHDZFOX-UHFFFAOYSA-N
XLogP0.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate (CID 2824807) is ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate is CCOC(=O)CNC(=O)CSc1ncccn1.
What is the InChIKey of ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate?
The InChIKey is ZQBJLZOAHDZFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-16-9(15)6-13-8(14)7-17-10-11-4-3-5-12-10/h3-5H,2,6-7H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate?
ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate has a molecular weight of 255.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetate is sourced from PubChem (CID 2824807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).