2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine

C14H14N4OS2 — CID 70285571

IUPAC2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SCCc2cc3ccoc3cn2)n1
InChIInChI=1S/C14H14N4OS2/c1-20-13-7-12(15)17-14(18-13)21-5-3-10-6-9-2-4-19-11(9)8-16-10/h2,4,6-8H,3,5H2,1H3,(H2,15,17,18)
InChIKeyWPLLQLLULVYDMS-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.26
Rot. Bonds5

About 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine

2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 70285571) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID70285571
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SCCc2cc3ccoc3cn2)n1
InChIInChI=1S/C14H14N4OS2/c1-20-13-7-12(15)17-14(18-13)21-5-3-10-6-9-2-4-19-11(9)8-16-10/h2,4,6-8H,3,5H2,1H3,(H2,15,17,18)
InChIKeyWPLLQLLULVYDMS-UHFFFAOYSA-N
XLogP3.26
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine (CID 70285571) is 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine is CSc1cc(N)nc(SCCc2cc3ccoc3cn2)n1.
What is the InChIKey of 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is WPLLQLLULVYDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-20-13-7-12(15)17-14(18-13)21-5-3-10-6-9-2-4-19-11(9)8-16-10/h2,4,6-8H,3,5H2,1H3,(H2,15,17,18).
What are the key properties of 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine?
2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 318.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 70285571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).