2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide

C13H14N4OS — CID 933898

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccccn2)n1
InChIInChI=1S/C13H14N4OS/c1-9-7-10(2)16-13(15-9)19-8-12(18)17-11-5-3-4-6-14-11/h3-7H,8H2,1-2H3,(H,14,17,18)
InChIKeyIQYKGNLTVCHDGL-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.22
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 933898) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
PubChem CID933898
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccccn2)n1
InChIInChI=1S/C13H14N4OS/c1-9-7-10(2)16-13(15-9)19-8-12(18)17-11-5-3-4-6-14-11/h3-7H,8H2,1-2H3,(H,14,17,18)
InChIKeyIQYKGNLTVCHDGL-UHFFFAOYSA-N
XLogP2.22
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 40560476
2-naphthalen-2-ylsulfanyl-N-pyridin-2-ylacetamide
CID 39922635
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55934058
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-pyridin-2-ylacetamide
CID 154775237
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 684403
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440472
N-pyridin-2-yl-2-(trifluoromethylsulfanyl)acetamide
CID 2319940

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide (CID 933898) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ccccn2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is IQYKGNLTVCHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9-7-10(2)16-13(15-9)19-8-12(18)17-11-5-3-4-6-14-11/h3-7H,8H2,1-2H3,(H,14,17,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 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-pyridin-2-ylacetamide is sourced from PubChem (CID 933898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).