2-pyrimidin-2-ylsulfanylacetamide

C6H7N3OS — CID 9458560

IUPAC2-pyrimidin-2-ylsulfanylacetamide
SMILESNC(=O)CSc1ncccn1
InChIInChI=1S/C6H7N3OS/c7-5(10)4-11-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10)
InChIKeyYHDGSAOXXHFKSQ-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.05
Rot. Bonds3

About 2-pyrimidin-2-ylsulfanylacetamide

2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 9458560) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanylacetamide
PubChem CID9458560
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name2-pyrimidin-2-ylsulfanylacetamide
SMILESNC(=O)CSc1ncccn1
InChIInChI=1S/C6H7N3OS/c7-5(10)4-11-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10)
InChIKeyYHDGSAOXXHFKSQ-UHFFFAOYSA-N
XLogP0.05
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Pyrimidin-2-ylthio)acetic acid
CID 581022
2-Acetamidopyrimidine
CID 273584
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-(Methylsulfanyl)pyrimidine
CID 522772
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
(Pyrimidin-2-ylsulfanyl)-acetic acid cycloheptylidene-hydrazide
CID 694126
2-((4-Methylpyrimidin-2-yl)thio)acetamide
CID 863173
2-(Ethylsulfanyl)pyrimidine
CID 12764701
Ethyl (2-pyrimidinylthio)acetate
CID 6465581

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanylacetamide (CID 9458560) is 2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanylacetamide is NC(=O)CSc1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is YHDGSAOXXHFKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c7-5(10)4-11-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10).
What are the key properties of 2-pyrimidin-2-ylsulfanylacetamide?
2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 169.21 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 9458560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).