2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide

C8H11N3O2S — CID 7748225

IUPAC2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide
SMILESCSc1nc(C)cc(=O)n1CC(N)=O
InChIInChI=1S/C8H11N3O2S/c1-5-3-7(13)11(4-6(9)12)8(10-5)14-2/h3H,4H2,1-2H3,(H2,9,12)
InChIKeyXZCJOGOUENETAF-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.24
Rot. Bonds3

About 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide

2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 7748225) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID7748225
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide
SMILESCSc1nc(C)cc(=O)n1CC(N)=O
InChIInChI=1S/C8H11N3O2S/c1-5-3-7(13)11(4-6(9)12)8(10-5)14-2/h3H,4H2,1-2H3,(H2,9,12)
InChIKeyXZCJOGOUENETAF-UHFFFAOYSA-N
XLogP-0.24
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide (CID 7748225) is 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide is CSc1nc(C)cc(=O)n1CC(N)=O.
What is the InChIKey of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is XZCJOGOUENETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5-3-7(13)11(4-6(9)12)8(10-5)14-2/h3H,4H2,1-2H3,(H2,9,12).
What are the key properties of 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide?
2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 213.26 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 7748225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).