2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide

C10H15N3OS — CID 975959

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCc1cc(C)nc(SCC(=O)N(C)C)n1
InChIInChI=1S/C10H15N3OS/c1-7-5-8(2)12-10(11-7)15-6-9(14)13(3)4/h5H,6H2,1-4H3
InChIKeyVICNHVUBTBTSHG-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.27
Rot. Bonds3

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide (PubChem CID 975959) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
PubChem CID975959
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
SMILESCc1cc(C)nc(SCC(=O)N(C)C)n1
InChIInChI=1S/C10H15N3OS/c1-7-5-8(2)12-10(11-7)15-6-9(14)13(3)4/h5H,6H2,1-4H3
InChIKeyVICNHVUBTBTSHG-UHFFFAOYSA-N
XLogP1.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide (CID 975959) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide is Cc1cc(C)nc(SCC(=O)N(C)C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is VICNHVUBTBTSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-5-8(2)12-10(11-7)15-6-9(14)13(3)4/h5H,6H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 225.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 975959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).