methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate

C8H11N3O2S2 — CID 80885254

IUPACmethyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(N)nc(SC)n1
InChIInChI=1S/C8H11N3O2S2/c1-13-7(12)4-15-6-3-5(9)10-8(11-6)14-2/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyWZIDQTDXPHXBJC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate

methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate (PubChem CID 80885254) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate
PubChem CID80885254
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC Namemethyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(N)nc(SC)n1
InChIInChI=1S/C8H11N3O2S2/c1-13-7(12)4-15-6-3-5(9)10-8(11-6)14-2/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyWZIDQTDXPHXBJC-UHFFFAOYSA-N
XLogP1.05
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate (CID 80885254) is methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate is COC(=O)CSc1cc(N)nc(SC)n1.
What is the InChIKey of methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate?
The InChIKey is WZIDQTDXPHXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c1-13-7(12)4-15-6-3-5(9)10-8(11-6)14-2/h3H,4H2,1-2H3,(H2,9,10,11).
What are the key properties of methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate?
methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate has a molecular weight of 245.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanylacetate is sourced from PubChem (CID 80885254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).