2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide

C13H13N3O3S — CID 135431911

IUPAC2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESCn1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O
InChIInChI=1S/C13H13N3O3S/c1-16-12(19)7-10(17)15-13(16)20-8-11(18)14-9-5-3-2-4-6-9/h2-7,17H,8H2,1H3,(H,14,18)
InChIKeyLKNAECIOHCXEMJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.22
Rot. Bonds4

About 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide

2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 135431911) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID135431911
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESCn1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O
InChIInChI=1S/C13H13N3O3S/c1-16-12(19)7-10(17)15-13(16)20-8-11(18)14-9-5-3-2-4-6-9/h2-7,17H,8H2,1H3,(H,14,18)
InChIKeyLKNAECIOHCXEMJ-UHFFFAOYSA-N
XLogP1.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135408913
2-[4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135427541
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 135399186
N-phenyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CID 5308165
N-(3-hydroxyphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 864135
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 135471749
N-(4-chlorophenyl)-2-[4-hydroxy-1-(2-methoxyphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135436002
2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 135676883
2-[(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2811826
2-[[6-methyl-3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-phenylacetamide
CID 50841468
2-[4-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid
CID 23099684
N-(9,10-dioxoanthracen-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4264727

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide (CID 135431911) is 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide is Cn1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O.
What is the InChIKey of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is LKNAECIOHCXEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-16-12(19)7-10(17)15-13(16)20-8-11(18)14-9-5-3-2-4-6-9/h2-7,17H,8H2,1H3,(H,14,18).
What are the key properties of 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide?
2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 291.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 135431911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).