N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine

C12H15N3OS — CID 166220070

IUPACN-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine
SMILESCSc1cncc(NCCc2ccc(C)o2)n1
InChIInChI=1S/C12H15N3OS/c1-9-3-4-10(16-9)5-6-14-11-7-13-8-12(15-11)17-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyNMCJQCNYKKYRTA-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine

N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine (PubChem CID 166220070) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine
PubChem CID166220070
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine
SMILESCSc1cncc(NCCc2ccc(C)o2)n1
InChIInChI=1S/C12H15N3OS/c1-9-3-4-10(16-9)5-6-14-11-7-13-8-12(15-11)17-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyNMCJQCNYKKYRTA-UHFFFAOYSA-N
XLogP2.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine (CID 166220070) is N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine is CSc1cncc(NCCc2ccc(C)o2)n1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine?
The InChIKey is NMCJQCNYKKYRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-3-4-10(16-9)5-6-14-11-7-13-8-12(15-11)17-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine?
N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine is sourced from PubChem (CID 166220070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).