N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide

C15H13N5O2S — CID 59457649

IUPACN-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide
SMILESCSc1nccc(-c2ncc(NC(C)=O)nc2-c2ccco2)n1
InChIInChI=1S/C15H13N5O2S/c1-9(21)18-12-8-17-13(10-5-6-16-15(19-10)23-2)14(20-12)11-4-3-7-22-11/h3-8H,1-2H3,(H,18,20,21)
InChIKeyVMLQZJGEEIODJG-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.87
Rot. Bonds4

About N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide

N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide (PubChem CID 59457649) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide
PubChem CID59457649
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide
SMILESCSc1nccc(-c2ncc(NC(C)=O)nc2-c2ccco2)n1
InChIInChI=1S/C15H13N5O2S/c1-9(21)18-12-8-17-13(10-5-6-16-15(19-10)23-2)14(20-12)11-4-3-7-22-11/h3-8H,1-2H3,(H,18,20,21)
InChIKeyVMLQZJGEEIODJG-UHFFFAOYSA-N
XLogP2.87
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine
CID 168527070
5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine
CID 59457611
N-[8-(furan-2-yl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]acetamide
CID 162467392
5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 158122003
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23917159
4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
CID 11380183
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-methylacetamide
CID 6404295
N-[4-[[2-(furan-2-yl)-1-methylimidazo[4,5-c]pyridin-6-yl]amino]phenyl]acetamide
CID 71448650
1-[5-ethyl-4-(furan-2-yl)pyrimidin-2-yl]propan-2-one
CID 123906460
4-(2-methylsulfanylpyrimidin-4-yl)-1,2-oxazole
CID 42609102
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 6404294

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide?
The IUPAC name of N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide (CID 59457649) is N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide?
The canonical SMILES for N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide is CSc1nccc(-c2ncc(NC(C)=O)nc2-c2ccco2)n1.
What is the InChIKey of N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide?
The InChIKey is VMLQZJGEEIODJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-9(21)18-12-8-17-13(10-5-6-16-15(19-10)23-2)14(20-12)11-4-3-7-22-11/h3-8H,1-2H3,(H,18,20,21).
What are the key properties of N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide?
N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide has a molecular weight of 327.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-yl]acetamide is sourced from PubChem (CID 59457649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).