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

C12H19N3OS — CID 47095842

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NCC(C)C)n1
InChIInChI=1S/C12H19N3OS/c1-8(2)6-13-11(16)7-17-12-14-9(3)5-10(4)15-12/h5,8H,6-7H2,1-4H3,(H,13,16)
InChIKeyIVMTYUNNCHTIQM-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.96
Rot. Bonds5

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide (PubChem CID 47095842) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
PubChem CID47095842
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NCC(C)C)n1
InChIInChI=1S/C12H19N3OS/c1-8(2)6-13-11(16)7-17-12-14-9(3)5-10(4)15-12/h5,8H,6-7H2,1-4H3,(H,13,16)
InChIKeyIVMTYUNNCHTIQM-UHFFFAOYSA-N
XLogP1.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide
CID 120833140
3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2,2-dimethylpropanoic acid
CID 119250170
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-3-methylbutanamide
CID 95615867
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
2-[[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245230
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 46400419
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl chloride
CID 151547713
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 46554866
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 37466921
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-methyl-1-phenylbutylidene)amino]acetamide
CID 42996066
2-(4-chlorophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 875637
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39978344

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide (CID 47095842) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide is Cc1cc(C)nc(SCC(=O)NCC(C)C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The InChIKey is IVMTYUNNCHTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)6-13-11(16)7-17-12-14-9(3)5-10(4)15-12/h5,8H,6-7H2,1-4H3,(H,13,16).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.96, 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-methylpropyl)acetamide is sourced from PubChem (CID 47095842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).