6-pyrazin-2-ylsulfanylquinolin-5-amine

C13H10N4S — CID 63380932

IUPAC6-pyrazin-2-ylsulfanylquinolin-5-amine
SMILESNc1c(Sc2cnccn2)ccc2ncccc12
InChIInChI=1S/C13H10N4S/c14-13-9-2-1-5-16-10(9)3-4-11(13)18-12-8-15-6-7-17-12/h1-8H,14H2
InChIKeyVUPYQSYUFMEDLN-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.76
Rot. Bonds2

About 6-pyrazin-2-ylsulfanylquinolin-5-amine

6-pyrazin-2-ylsulfanylquinolin-5-amine (PubChem CID 63380932) has the molecular formula C13H10N4S and a molecular weight of 254.32 g/mol. Its IUPAC name is 6-pyrazin-2-ylsulfanylquinolin-5-amine.

Molecular Properties

Compound Name6-pyrazin-2-ylsulfanylquinolin-5-amine
PubChem CID63380932
Molecular FormulaC13H10N4S
Molecular Weight254.32 g/mol
Exact Mass254.06
IUPAC Name6-pyrazin-2-ylsulfanylquinolin-5-amine
SMILESNc1c(Sc2cnccn2)ccc2ncccc12
InChIInChI=1S/C13H10N4S/c14-13-9-2-1-5-16-10(9)3-4-11(13)18-12-8-15-6-7-17-12/h1-8H,14H2
InChIKeyVUPYQSYUFMEDLN-UHFFFAOYSA-N
XLogP2.76
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(1H-imidazol-2-ylsulfanyl)quinolin-5-amine
CID 107779336
6-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-5-amine
CID 43809899
6-(2-bromophenyl)sulfanylquinolin-5-amine
CID 43809931
4-pyrazin-2-ylsulfanylnaphthalen-1-ol
CID 112596159
2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 154037897
3-(5-aminoquinolin-6-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898059
6-(2-methylpropylsulfanyl)quinolin-5-amine
CID 43809927
5-pyrazin-2-ylsulfanylpyrazin-2-amine
CID 80664326
2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802069
4-pyrazin-2-ylsulfanylquinazolin-2-amine
CID 80889192
3-(5-aminoquinolin-6-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 62882303
2-(2-iodophenyl)sulfanylpyrazine
CID 14689443

Frequently Asked Questions

What is the IUPAC name of 6-pyrazin-2-ylsulfanylquinolin-5-amine?
The IUPAC name of 6-pyrazin-2-ylsulfanylquinolin-5-amine (CID 63380932) is 6-pyrazin-2-ylsulfanylquinolin-5-amine.
What is the SMILES notation for 6-pyrazin-2-ylsulfanylquinolin-5-amine?
The canonical SMILES for 6-pyrazin-2-ylsulfanylquinolin-5-amine is Nc1c(Sc2cnccn2)ccc2ncccc12.
What is the InChIKey of 6-pyrazin-2-ylsulfanylquinolin-5-amine?
The InChIKey is VUPYQSYUFMEDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S/c14-13-9-2-1-5-16-10(9)3-4-11(13)18-12-8-15-6-7-17-12/h1-8H,14H2.
What are the key properties of 6-pyrazin-2-ylsulfanylquinolin-5-amine?
6-pyrazin-2-ylsulfanylquinolin-5-amine has a molecular weight of 254.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazin-2-ylsulfanylquinolin-5-amine is sourced from PubChem (CID 63380932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).