N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C7H9N3O2S — CID 39759075

IUPACN-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCNC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C7H9N3O2S/c1-8-6(12)4-13-7-9-3-2-5(11)10-7/h2-3H,4H2,1H3,(H,8,12)(H,9,10,11)
InChIKeySDMASNVGJSEOSD-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.39
Rot. Bonds3

About N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 39759075) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID39759075
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC NameN-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCNC(=O)CSc1nccc(=O)[nH]1
InChIInChI=1S/C7H9N3O2S/c1-8-6(12)4-13-7-9-3-2-5(11)10-7/h2-3H,4H2,1H3,(H,8,12)(H,9,10,11)
InChIKeySDMASNVGJSEOSD-UHFFFAOYSA-N
XLogP-0.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7213972
N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2212940
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 860054
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 9143912
N-(3-acetamidophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 859978
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 1286703
N-[(1S)-1-(4-methylphenyl)propyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9143525
N-[(1S,2R)-2-methylcyclohexyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860090
methyl 4-[[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]methyl]benzoate
CID 9144164
N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 7575397
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144280
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144287

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 39759075) is N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CNC(=O)CSc1nccc(=O)[nH]1.
What is the InChIKey of N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is SDMASNVGJSEOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-8-6(12)4-13-7-9-3-2-5(11)10-7/h2-3H,4H2,1H3,(H,8,12)(H,9,10,11).
What are the key properties of N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 199.24 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 39759075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).