5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine

C10H15BrN2S — CID 104507641

IUPAC5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine
SMILESCCCCSc1ncc(N)c(C)c1Br
InChIInChI=1S/C10H15BrN2S/c1-3-4-5-14-10-9(11)7(2)8(12)6-13-10/h6H,3-5,12H2,1-2H3
InChIKeyACNQFQYSGJVYEE-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.63
Rot. Bonds4

About 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine

5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine (PubChem CID 104507641) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine
PubChem CID104507641
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine
SMILESCCCCSc1ncc(N)c(C)c1Br
InChIInChI=1S/C10H15BrN2S/c1-3-4-5-14-10-9(11)7(2)8(12)6-13-10/h6H,3-5,12H2,1-2H3
InChIKeyACNQFQYSGJVYEE-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol
CID 104507687
5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748140
5-bromo-4,6-dimethylpyridin-3-amine
CID 7060666
5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 112736273
5-bromo-4-methyl-6-pyridin-2-ylsulfanylpyridin-3-amine
CID 104507614
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-decylsulfanylpyrazin-2-amine
CID 106678948
3-octylsulfanylpyrazin-2-amine
CID 106678549
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 104506524
3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
CID 104506702
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
5-bromo-6-(3-chlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 104507662

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine (CID 104507641) is 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine is CCCCSc1ncc(N)c(C)c1Br.
What is the InChIKey of 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine?
The InChIKey is ACNQFQYSGJVYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-3-4-5-14-10-9(11)7(2)8(12)6-13-10/h6H,3-5,12H2,1-2H3.
What are the key properties of 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine?
5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine has a molecular weight of 275.21 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine is sourced from PubChem (CID 104507641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).