N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide

C15H17N3OS — CID 23611311

IUPACN-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NCc2ccccc2)nc(C)n1
InChIInChI=1S/C15H17N3OS/c1-11-8-15(18-12(2)17-11)20-10-14(19)16-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyICHJXTAVEXJOPE-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.50
Rot. Bonds5

About N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide

N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 23611311) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
PubChem CID23611311
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NCc2ccccc2)nc(C)n1
InChIInChI=1S/C15H17N3OS/c1-11-8-15(18-12(2)17-11)20-10-14(19)16-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyICHJXTAVEXJOPE-UHFFFAOYSA-N
XLogP2.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-6-methylpyrimidin-4-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 22768951
4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid
CID 4791146
N-benzyl-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 22695408
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509675
N-benzyl-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227808
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 95921669
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611356
N-benzyl-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401253
ethyl 2-[[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate
CID 23611290
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 46481133
N-benzyl-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1171908

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide (CID 23611311) is N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide is Cc1cc(SCC(=O)NCc2ccccc2)nc(C)n1.
What is the InChIKey of N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is ICHJXTAVEXJOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-8-15(18-12(2)17-11)20-10-14(19)16-9-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide?
N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 287.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 23611311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).