3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol

C11H19N3OS — CID 80890486

IUPAC3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
SMILESCCCNc1cncc(SC(C)CCO)n1
InChIInChI=1S/C11H19N3OS/c1-3-5-13-10-7-12-8-11(14-10)16-9(2)4-6-15/h7-9,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyKEFPHXZWYXWPOX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.16
Rot. Bonds7

About 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol

3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol (PubChem CID 80890486) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
PubChem CID80890486
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
SMILESCCCNc1cncc(SC(C)CCO)n1
InChIInChI=1S/C11H19N3OS/c1-3-5-13-10-7-12-8-11(14-10)16-9(2)4-6-15/h7-9,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyKEFPHXZWYXWPOX-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964593
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol
CID 131159984
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
3-pyrazin-2-ylsulfanylbutan-1-ol
CID 66138101
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80890961
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]butan-1-ol
CID 102761554
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
CID 80890192
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603

Frequently Asked Questions

What is the IUPAC name of 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol (CID 80890486) is 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol is CCCNc1cncc(SC(C)CCO)n1.
What is the InChIKey of 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol?
The InChIKey is KEFPHXZWYXWPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-5-13-10-7-12-8-11(14-10)16-9(2)4-6-15/h7-9,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol?
3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol is sourced from PubChem (CID 80890486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).