6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine

C12H15N3OS — CID 80892831

IUPAC6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(SCc2ccco2)n1
InChIInChI=1S/C12H15N3OS/c1-2-5-14-11-7-13-8-12(15-11)17-9-10-4-3-6-16-10/h3-4,6-8H,2,5,9H2,1H3,(H,14,15)
InChIKeyVZIATQAKFVMBTB-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.18
Rot. Bonds6

About 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine

6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine (PubChem CID 80892831) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
PubChem CID80892831
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(SCc2ccco2)n1
InChIInChI=1S/C12H15N3OS/c1-2-5-14-11-7-13-8-12(15-11)17-9-10-4-3-6-16-10/h3-4,6-8H,2,5,9H2,1H3,(H,14,15)
InChIKeyVZIATQAKFVMBTB-UHFFFAOYSA-N
XLogP3.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880
6-(furan-2-ylmethoxy)-N-propylpyrazin-2-amine
CID 80858650
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
CID 80890192
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
CID 80890057
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759
N-ethyl-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidin-4-amine
CID 80893554
5-N-[2-(furan-2-yl)ethyl]-3-N-propylpyridine-3,5-diamine
CID 104533461
N-ethyl-4-(furan-2-ylmethylsulfanyl)-6-methylpyrimidin-2-amine
CID 80893163
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80991069
N-[[6-(furan-2-ylmethylsulfanyl)-3-pyridinyl]methyl]ethanamine
CID 80639863

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine (CID 80892831) is 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine is CCCNc1cncc(SCc2ccco2)n1.
What is the InChIKey of 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine?
The InChIKey is VZIATQAKFVMBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-5-14-11-7-13-8-12(15-11)17-9-10-4-3-6-16-10/h3-4,6-8H,2,5,9H2,1H3,(H,14,15).
What are the key properties of 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine?
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 80892831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).