5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine

C14H10N6OS — CID 59457611

IUPAC5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine
SMILESCSc1nccc(-c2nc3nc[nH]c3nc2-c2ccco2)n1
InChIInChI=1S/C14H10N6OS/c1-22-14-15-5-4-8(18-14)10-11(9-3-2-6-21-9)20-13-12(19-10)16-7-17-13/h2-7H,1H3,(H,16,17,19,20)
InChIKeyPJFSXDDNWTXLJK-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.79
Rot. Bonds3

About 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine

5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine (PubChem CID 59457611) has the molecular formula C14H10N6OS and a molecular weight of 310.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine
PubChem CID59457611
Molecular FormulaC14H10N6OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine
SMILESCSc1nccc(-c2nc3nc[nH]c3nc2-c2ccco2)n1
InChIInChI=1S/C14H10N6OS/c1-22-14-15-5-4-8(18-14)10-11(9-3-2-6-21-9)20-13-12(19-10)16-7-17-13/h2-7H,1H3,(H,16,17,19,20)
InChIKeyPJFSXDDNWTXLJK-UHFFFAOYSA-N
XLogP2.79
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine?
The IUPAC name of 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine (CID 59457611) is 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine?
The canonical SMILES for 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine is CSc1nccc(-c2nc3nc[nH]c3nc2-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine?
The InChIKey is PJFSXDDNWTXLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6OS/c1-22-14-15-5-4-8(18-14)10-11(9-3-2-6-21-9)20-13-12(19-10)16-7-17-13/h2-7H,1H3,(H,16,17,19,20).
What are the key properties of 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine?
5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine has a molecular weight of 310.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-6-(2-methylsulfanylpyrimidin-4-yl)-3H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 59457611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).