N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide

C7H8N4O2S — CID 592296

IUPACN-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESNC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C7H8N4O2S/c8-6(13)11-5(12)4-14-7-9-2-1-3-10-7/h1-3H,4H2,(H3,8,11,12,13)
InChIKeyNNBFMXUTERZYND-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.24
Rot. Bonds3

About N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide

N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 592296) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID592296
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC NameN-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESNC(=O)NC(=O)CSc1ncccn1
InChIInChI=1S/C7H8N4O2S/c8-6(13)11-5(12)4-14-7-9-2-1-3-10-7/h1-3H,4H2,(H3,8,11,12,13)
InChIKeyNNBFMXUTERZYND-UHFFFAOYSA-N
XLogP-0.24
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Pyrimidin-2-ylthio)acetic acid
CID 581022
2-Acetamidopyrimidine
CID 273584
2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
CID 1084805
N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2403031
N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3691663
N-cyclopentyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 16318744
N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2474912
N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2628835
N-cyclohexyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 711869
N-cyclopentyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 4618357
2-[2-(Carbamoylmethylthio)pyrimidin-4-ylthio]acetamide
CID 24321009
N-(6-methyl-7-oxo-7H-thiazolo[3,2-b][1,2,4]triazin-3-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 29140567

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide (CID 592296) is N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide is NC(=O)NC(=O)CSc1ncccn1.
What is the InChIKey of N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is NNBFMXUTERZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c8-6(13)11-5(12)4-14-7-9-2-1-3-10-7/h1-3H,4H2,(H3,8,11,12,13).
What are the key properties of N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide?
N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 212.23 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 592296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).