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

C9H13N3OS — CID 658170

IUPACN-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
SMILESCSc1cc(C)nc(N(C)C(C)=O)n1
InChIInChI=1S/C9H13N3OS/c1-6-5-8(14-4)11-9(10-6)12(3)7(2)13/h5H,1-4H3
InChIKeyQSDAAFPBLJBVGC-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.49
Rot. Bonds2

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

N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide (PubChem CID 658170) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
PubChem CID658170
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
SMILESCSc1cc(C)nc(N(C)C(C)=O)n1
InChIInChI=1S/C9H13N3OS/c1-6-5-8(14-4)11-9(10-6)12(3)7(2)13/h5H,1-4H3
InChIKeyQSDAAFPBLJBVGC-UHFFFAOYSA-N
XLogP1.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The IUPAC name of N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide (CID 658170) is N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide is CSc1cc(C)nc(N(C)C(C)=O)n1.
What is the InChIKey of N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The InChIKey is QSDAAFPBLJBVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-5-8(14-4)11-9(10-6)12(3)7(2)13/h5H,1-4H3.
What are the key properties of N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide has a molecular weight of 211.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 658170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).