N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide

C8H10ClN3OS — CID 139881780

IUPACN-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide
SMILESCSc1nc(C)c(NC(C)=O)c(Cl)n1
InChIInChI=1S/C8H10ClN3OS/c1-4-6(11-5(2)13)7(9)12-8(10-4)14-3/h1-3H3,(H,11,13)
InChIKeyZOLKSXUJMVYXDB-UHFFFAOYSA-N
MW231.71 g/mol
LogP2.12
Rot. Bonds2

About N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide

N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide (PubChem CID 139881780) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide
PubChem CID139881780
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC NameN-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide
SMILESCSc1nc(C)c(NC(C)=O)c(Cl)n1
InChIInChI=1S/C8H10ClN3OS/c1-4-6(11-5(2)13)7(9)12-8(10-4)14-3/h1-3H3,(H,11,13)
InChIKeyZOLKSXUJMVYXDB-UHFFFAOYSA-N
XLogP2.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide (CID 139881780) is N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide is CSc1nc(C)c(NC(C)=O)c(Cl)n1.
What is the InChIKey of N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide?
The InChIKey is ZOLKSXUJMVYXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c1-4-6(11-5(2)13)7(9)12-8(10-4)14-3/h1-3H3,(H,11,13).
What are the key properties of N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide?
N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide has a molecular weight of 231.71 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 139881780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).