N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

C17H13BrN4O3S — CID 135433272

IUPACN-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C17H13BrN4O3S/c18-11-6-7-13(19-9-11)20-15(24)10-26-17-21-14(23)8-16(25)22(17)12-4-2-1-3-5-12/h1-9,23H,10H2,(H,19,20,24)
InChIKeyLLOMBIHMHMYJFW-UHFFFAOYSA-N
MW433.29 g/mol
LogP2.83
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135433272) has the molecular formula C17H13BrN4O3S and a molecular weight of 433.29 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135433272
Molecular FormulaC17H13BrN4O3S
Molecular Weight433.29 g/mol
Exact Mass431.99
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C17H13BrN4O3S/c18-11-6-7-13(19-9-11)20-15(24)10-26-17-21-14(23)8-16(25)22(17)12-4-2-1-3-5-12/h1-9,23H,10H2,(H,19,20,24)
InChIKeyLLOMBIHMHMYJFW-UHFFFAOYSA-N
XLogP2.83
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-bromophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4207409
N-(5-bromopyridin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 934679
5-{[(5-bromo-2-pyridinyl)amino]methylene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 3119707
N-(5-bromopyridin-2-yl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 3275372
N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3884838
N-(5-bromo-2-pyridinyl)-2-(phenylsulfonyl)acetamide
CID 4531342
N-(5-Bromo-pyridin-2-yl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1034973
N-(4-bromophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 979078
5-{[(5-bromo-2-pyridinyl)amino]methylene}-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1087258
N-(5-bromopyridin-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1303187
N-(5-bromopyridin-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide
CID 3129219
N-(5-bromopyridin-2-yl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
CID 4600212

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (CID 135433272) is N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is O=C(CSc1nc(O)cc(=O)n1-c1ccccc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is LLOMBIHMHMYJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O3S/c18-11-6-7-13(19-9-11)20-15(24)10-26-17-21-14(23)8-16(25)22(17)12-4-2-1-3-5-12/h1-9,23H,10H2,(H,19,20,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 433.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135433272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).