2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide

C8H7ClN4OS2 — CID 143626960

IUPAC2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide
SMILESCSc1nc(Cl)c(C#N)c(SCC(N)=O)n1
InChIInChI=1S/C8H7ClN4OS2/c1-15-8-12-6(9)4(2-10)7(13-8)16-3-5(11)14/h3H2,1H3,(H2,11,14)
InChIKeyYJFZHEPFDDNHGQ-UHFFFAOYSA-N
MW274.76 g/mol
LogP1.30
Rot. Bonds4

About 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide

2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 143626960) has the molecular formula C8H7ClN4OS2 and a molecular weight of 274.76 g/mol. Its IUPAC name is 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide
PubChem CID143626960
Molecular FormulaC8H7ClN4OS2
Molecular Weight274.76 g/mol
Exact Mass273.97
IUPAC Name2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide
SMILESCSc1nc(Cl)c(C#N)c(SCC(N)=O)n1
InChIInChI=1S/C8H7ClN4OS2/c1-15-8-12-6(9)4(2-10)7(13-8)16-3-5(11)14/h3H2,1H3,(H2,11,14)
InChIKeyYJFZHEPFDDNHGQ-UHFFFAOYSA-N
XLogP1.30
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Chloro-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
CID 507187
4-Chloro-2-ethylsulfanyl-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 507188
2-(2-Amino-5-cyano-6-methylthiopyrimidin-4-ylthio)acetamide
CID 4353539
2-Amino-4-chloro-6-methylsulfanyl-pyrimidine-5-carbonitrile
CID 18507260
2-Amino-4-chloro-6-methanesulfinyl-pyrimidine-5-carbonitrile
CID 18507277
(2-Amino-5-cyano-6-methylsulfanyl-pyrimidin-4-ylsulfanyl)-acetic acid
CID 59515444
Ethyl (6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-ylsulfanyl)acetate
CID 86617251
2-[6-Chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-ylthio]acetamide
CID 86617304
2-(6-Chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylbutanoic acid
CID 87339774
2-(6-Chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetic acid
CID 87425786
2-Amino-4-(methylsulfanyl)-6-[(2-oxopropyl)sulfanyl]pyrimidine-5-carbonitrile
CID 912226
2-Amino-4-(ethylsulfanyl)-6-(methylsulfanyl)-5-pyrimidinecarbonitrile
CID 950046

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide (CID 143626960) is 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide is CSc1nc(Cl)c(C#N)c(SCC(N)=O)n1.
What is the InChIKey of 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is YJFZHEPFDDNHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS2/c1-15-8-12-6(9)4(2-10)7(13-8)16-3-5(11)14/h3H2,1H3,(H2,11,14).
What are the key properties of 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide?
2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 274.76 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 143626960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).