6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine

C11H19N3OS — CID 80890057

IUPAC6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(SCCCOC)n1
InChIInChI=1S/C11H19N3OS/c1-3-5-13-10-8-12-9-11(14-10)16-7-4-6-15-2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyWYNQEROPJOIXOB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.43
Rot. Bonds8

About 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine

6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine (PubChem CID 80890057) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
PubChem CID80890057
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(SCCCOC)n1
InChIInChI=1S/C11H19N3OS/c1-3-5-13-10-8-12-9-11(14-10)16-7-4-6-15-2/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyWYNQEROPJOIXOB-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
CID 80890192
6-(3-methoxypropylsulfanyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720359
6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrazin-2-amine
CID 103176484
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
4-(3-methoxypropylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566851
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
2-N-ethyl-2-N-(2-methoxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80808373
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80890961

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine (CID 80890057) is 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine is CCCNc1cncc(SCCCOC)n1.
What is the InChIKey of 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine?
The InChIKey is WYNQEROPJOIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-5-13-10-8-12-9-11(14-10)16-7-4-6-15-2/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine?
6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine has a molecular weight of 241.36 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 80890057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).