2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide

C12H10ClN3O3S — CID 137100075

IUPAC2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc(O)cc(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O3S/c13-7-1-3-8(4-2-7)16-11(19)5-10(18)15-12(16)20-6-9(14)17/h1-5,18H,6H2,(H2,14,17)
InChIKeyZCHOFLGRTOHGOP-UHFFFAOYSA-N
MW311.75 g/mol
LogP1.17
Rot. Bonds4

About 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide

2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 137100075) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID137100075
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc(O)cc(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClN3O3S/c13-7-1-3-8(4-2-7)16-11(19)5-10(18)15-12(16)20-6-9(14)17/h1-5,18H,6H2,(H2,14,17)
InChIKeyZCHOFLGRTOHGOP-UHFFFAOYSA-N
XLogP1.17
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydroxy-2-phenacylsulfanyl-3-phenylpyrimidin-4-one
CID 135402231
2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135427541
2-ethylsulfanyl-6-hydroxy-3-phenylpyrimidin-4-one
CID 135402235
2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135408913
2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3682871
2-[[4-(4-chlorophenyl)-5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3462073
6-hydroxy-3-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
CID 135541177
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 3500107
N-benzhydryl-2-[1-(4-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 137118905
N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135436002
2-benzylsulfanyl-3-(4-fluorophenyl)-6-hydroxypyrimidin-4-one
CID 135510983
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 137100075) is 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide is NC(=O)CSc1nc(O)cc(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is ZCHOFLGRTOHGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c13-7-1-3-8(4-2-7)16-11(19)5-10(18)15-12(16)20-6-9(14)17/h1-5,18H,6H2,(H2,14,17).
What are the key properties of 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide?
2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 311.75 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 137100075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).