2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

C13H21N3OS — CID 46554866

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C13H21N3OS/c1-6-13(4,5)16-11(17)8-18-12-14-9(2)7-10(3)15-12/h7H,6,8H2,1-5H3,(H,16,17)
InChIKeyHUXYWRCGIRQFPU-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.49
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 46554866) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID46554866
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C13H21N3OS/c1-6-13(4,5)16-11(17)8-18-12-14-9(2)7-10(3)15-12/h7H,6,8H2,1-5H3,(H,16,17)
InChIKeyHUXYWRCGIRQFPU-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-tert-butylacetamide
CID 47110965
3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2,2-dimethylpropanoic acid
CID 119250170
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43213047
2-(4-hydroxyphenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 47298335
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 47095842
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 51215019
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389604
2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 18201845
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl chloride
CID 151547713
2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 51108107
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 94218923
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (CID 46554866) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CSc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is HUXYWRCGIRQFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-6-13(4,5)16-11(17)8-18-12-14-9(2)7-10(3)15-12/h7H,6,8H2,1-5H3,(H,16,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 267.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 46554866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).