2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide

C8H11N3O2S — CID 3239009

IUPAC2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1cc(C)nc(SCC(N)=O)n1
InChIInChI=1S/C8H11N3O2S/c1-5-3-7(13-2)11-8(10-5)14-4-6(9)12/h3H,4H2,1-2H3,(H2,9,12)
InChIKeyJSAKXVRQXAMYQQ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.37
Rot. Bonds4

About 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide

2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 3239009) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID3239009
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCOc1cc(C)nc(SCC(N)=O)n1
InChIInChI=1S/C8H11N3O2S/c1-5-3-7(13-2)11-8(10-5)14-4-6(9)12/h3H,4H2,1-2H3,(H2,9,12)
InChIKeyJSAKXVRQXAMYQQ-UHFFFAOYSA-N
XLogP0.37
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide (CID 3239009) is 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide is COc1cc(C)nc(SCC(N)=O)n1.
What is the InChIKey of 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is JSAKXVRQXAMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5-3-7(13-2)11-8(10-5)14-4-6(9)12/h3H,4H2,1-2H3,(H2,9,12).
What are the key properties of 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide?
2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 213.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-6-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3239009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).