2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide

C12H20N4OS — CID 120833140

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C12H20N4OS/c1-8-5-9(2)16-12(15-8)18-7-11(17)14-6-10(3)13-4/h5,10,13H,6-7H2,1-4H3,(H,14,17)
InChIKeyOAWRHJFGIRMBIE-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.91
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide (PubChem CID 120833140) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide
PubChem CID120833140
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)CSc1nc(C)cc(C)n1
InChIInChI=1S/C12H20N4OS/c1-8-5-9(2)16-12(15-8)18-7-11(17)14-6-10(3)13-4/h5,10,13H,6-7H2,1-4H3,(H,14,17)
InChIKeyOAWRHJFGIRMBIE-UHFFFAOYSA-N
XLogP0.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 47095842
N-[2-(methylamino)propyl]-2-naphthalen-2-ylsulfanylacetamide
CID 120831568
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
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
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39978344
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38572750
1-[[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544179
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 94218923

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide (CID 120833140) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide is CNC(C)CNC(=O)CSc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide?
The InChIKey is OAWRHJFGIRMBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-5-9(2)16-12(15-8)18-7-11(17)14-6-10(3)13-4/h5,10,13H,6-7H2,1-4H3,(H,14,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide has a molecular weight of 268.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(methylamino)propyl]acetamide is sourced from PubChem (CID 120833140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).