N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C13H13BrN4OS — CID 1034973

IUPACN-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(Br)cn2)n1
InChIInChI=1S/C13H13BrN4OS/c1-8-5-9(2)17-13(16-8)20-7-12(19)18-11-4-3-10(14)6-15-11/h3-6H,7H2,1-2H3,(H,15,18,19)
InChIKeyNDSPFIUVDBETQZ-UHFFFAOYSA-N
MW353.25 g/mol
LogP2.98
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 1034973) has the molecular formula C13H13BrN4OS and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID1034973
Molecular FormulaC13H13BrN4OS
Molecular Weight353.25 g/mol
Exact Mass352.00
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccc(Br)cn2)n1
InChIInChI=1S/C13H13BrN4OS/c1-8-5-9(2)17-13(16-8)20-7-12(19)18-11-4-3-10(14)6-15-11/h3-6H,7H2,1-2H3,(H,15,18,19)
InChIKeyNDSPFIUVDBETQZ-UHFFFAOYSA-N
XLogP2.98
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromopyridin-2-yl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20913583
N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 888679
N-(5-bromopyridin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 934679
N-(5-bromopyridin-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1954884
N-(5-chloropyridin-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanamide
CID 2890968
N-pyridin-2-yl-2-[(2-pyridin-2-ylethyl)thio]acetamide
CID 3238824
N-(5-bromopyridin-2-yl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 3275372
N-(5-bromo-2-pyridinyl)-2-[(4-hydroxy-6-oxo-1-phenyl-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135433272
N-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 723211
N-(5-bromopyridin-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 895597
N-(5-bromopyridin-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1303187
N-(5-Bromo-2-pyridinyl)-N'-{[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl}sulfamide
CID 2827888

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 1034973) is N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)cn2)n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is NDSPFIUVDBETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4OS/c1-8-5-9(2)17-13(16-8)20-7-12(19)18-11-4-3-10(14)6-15-11/h3-6H,7H2,1-2H3,(H,15,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 353.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1034973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).