2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide

C10H10ClN5OS — CID 86617304

IUPAC2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide
SMILESN#Cc1c(Cl)nc(NC2CC2)nc1SCC(N)=O
InChIInChI=1S/C10H10ClN5OS/c11-8-6(3-12)9(18-4-7(13)17)16-10(15-8)14-5-1-2-5/h5H,1-2,4H2,(H2,13,17)(H,14,15,16)
InChIKeySGFBOQGXFLWVMR-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.15
Rot. Bonds5

About 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide

2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide (PubChem CID 86617304) has the molecular formula C10H10ClN5OS and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide
PubChem CID86617304
Molecular FormulaC10H10ClN5OS
Molecular Weight283.74 g/mol
Exact Mass283.03
IUPAC Name2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide
SMILESN#Cc1c(Cl)nc(NC2CC2)nc1SCC(N)=O
InChIInChI=1S/C10H10ClN5OS/c11-8-6(3-12)9(18-4-7(13)17)16-10(15-8)14-5-1-2-5/h5H,1-2,4H2,(H2,13,17)(H,14,15,16)
InChIKeySGFBOQGXFLWVMR-UHFFFAOYSA-N
XLogP1.15
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Amino-5-cyano-6-methylthiopyrimidin-4-ylthio)acetamide
CID 4353539
4-Chloro-2-(cyclopropylamino)-6-methylsulfanylpyrimidine-5-carbonitrile
CID 21285547
2-(6-Chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)sulfanylacetamide
CID 143626960
2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 114231789
2-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)sulfanyl-N-ethylacetamide
CID 114233978
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-ethylacetamide
CID 114233979
2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 114233995
2-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-propan-2-ylacetamide
CID 114233997
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
CID 114234016
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
CID 114234027
2-{[2-amino-5-cyano-6-(methylsulfanyl)-4-pyrimidinyl]sulfanyl}-N-isopropylacetamide
CID 171985978

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide (CID 86617304) is 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide is N#Cc1c(Cl)nc(NC2CC2)nc1SCC(N)=O.
What is the InChIKey of 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is SGFBOQGXFLWVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5OS/c11-8-6(3-12)9(18-4-7(13)17)16-10(15-8)14-5-1-2-5/h5H,1-2,4H2,(H2,13,17)(H,14,15,16).
What are the key properties of 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide?
2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 283.74 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-cyano-2-(cyclopropylamino)pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 86617304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).