6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine

C13H24N4S — CID 80890192

IUPAC6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(SCCN(CC)CC)n1
InChIInChI=1S/C13H24N4S/c1-4-7-15-12-10-14-11-13(16-12)18-9-8-17(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyKFBRFBCJIXHNQF-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.73
Rot. Bonds9

About 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine

6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine (PubChem CID 80890192) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
PubChem CID80890192
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(SCCN(CC)CC)n1
InChIInChI=1S/C13H24N4S/c1-4-7-15-12-10-14-11-13(16-12)18-9-8-17(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyKFBRFBCJIXHNQF-UHFFFAOYSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(diethylamino)ethylsulfanyl]-N-propylpyridin-2-amine
CID 80890812
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
CID 80890057
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80890961
2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine
CID 112667733
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
CID 80890486
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
CID 80891650

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine?
The IUPAC name of 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine (CID 80890192) is 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine is CCCNc1cncc(SCCN(CC)CC)n1.
What is the InChIKey of 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine?
The InChIKey is KFBRFBCJIXHNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-7-15-12-10-14-11-13(16-12)18-9-8-17(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine?
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 80890192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).