2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C11H17N3O4S — CID 103798965

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4S/c1-7(8(6-15)19-2)12-10(17)5-14-4-3-9(16)13-11(14)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,12,17)(H,13,16,18)
InChIKeyRLJXKBOJSAJJPK-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.23
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103798965) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103798965
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H17N3O4S/c1-7(8(6-15)19-2)12-10(17)5-14-4-3-9(16)13-11(14)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,12,17)(H,13,16,18)
InChIKeyRLJXKBOJSAJJPK-UHFFFAOYSA-N
XLogP-1.23
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103798965) is 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CSC(CO)C(C)NC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is RLJXKBOJSAJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-7(8(6-15)19-2)12-10(17)5-14-4-3-9(16)13-11(14)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,12,17)(H,13,16,18).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 287.34 g/mol, XLogP of -1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103798965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).