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

C12H19N3O4S — CID 103801226

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O4S/c1-8(9(7-16)20-3)13-10(17)6-15-5-4-11(18)14(2)12(15)19/h4-5,8-9,16H,6-7H2,1-3H3,(H,13,17)
InChIKeyOKMRZKMBACNCHY-UHFFFAOYSA-N
MW301.37 g/mol
LogP-1.22
Rot. Bonds6

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

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 103801226) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID103801226
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O4S/c1-8(9(7-16)20-3)13-10(17)6-15-5-4-11(18)14(2)12(15)19/h4-5,8-9,16H,6-7H2,1-3H3,(H,13,17)
InChIKeyOKMRZKMBACNCHY-UHFFFAOYSA-N
XLogP-1.22
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 103801226) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CSC(CO)C(C)NC(=O)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is OKMRZKMBACNCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(9(7-16)20-3)13-10(17)6-15-5-4-11(18)14(2)12(15)19/h4-5,8-9,16H,6-7H2,1-3H3,(H,13,17).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 301.37 g/mol, XLogP of -1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103801226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).