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

C8H11N3OS — CID 742810

IUPACN-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
SMILESCSc1cc(C)nc(NC(C)=O)n1
InChIInChI=1S/C8H11N3OS/c1-5-4-7(13-3)11-8(9-5)10-6(2)12/h4H,1-3H3,(H,9,10,11,12)
InChIKeyJFTKQSSKMYTHPB-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.47
Rot. Bonds2

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

N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide (PubChem CID 742810) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
PubChem CID742810
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
SMILESCSc1cc(C)nc(NC(C)=O)n1
InChIInChI=1S/C8H11N3OS/c1-5-4-7(13-3)11-8(9-5)10-6(2)12/h4H,1-3H3,(H,9,10,11,12)
InChIKeyJFTKQSSKMYTHPB-UHFFFAOYSA-N
XLogP1.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl [(2-amino-6-methyl-4-pyrimidinyl)thio]acetate
CID 723916
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
N-methyl-N-(6-methyl-4-methylthiopyrimidin-2-yl)acetamide
CID 658170
Pyrimidin-2-amine, 15
CID 44220304
4-(Butylsulfanyl)-6-methylpyrimidin-2-amine
CID 237930
(2-Acetylamino-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid ethyl ester
CID 655986
Methyl {[6-methyl-2-(methylthio)-4-pyrimidinyl]thio}acetate
CID 976346
(2-Acetylamino-6-methyl-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
CID 652992
N-(5-Bromo-4-methyl-6-methylsulfanyl-pyrimidin-2-yl)-acetamide
CID 767988
(6-Methyl-2-propionylamino-pyrimidin-4-ylsulfanyl)-acetic acid methyl ester
CID 652134
2-(6-Methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylethanol
CID 1575439
(6-Methyl-2-methylsulfanyl-pyrimidin-4-yl)-urea
CID 650834

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide (CID 742810) is N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide is CSc1cc(C)nc(NC(C)=O)n1.
What is the InChIKey of N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The InChIKey is JFTKQSSKMYTHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-5-4-7(13-3)11-8(9-5)10-6(2)12/h4H,1-3H3,(H,9,10,11,12).
What are the key properties of N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide has a molecular weight of 197.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 742810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).