5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine

C11H17BrN2S — CID 107748140

IUPAC5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
SMILESCc1c(N)cnc(SCCC(C)C)c1Br
InChIInChI=1S/C11H17BrN2S/c1-7(2)4-5-15-11-10(12)8(3)9(13)6-14-11/h6-7H,4-5,13H2,1-3H3
InChIKeyXTFIVKPGXSZPAD-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.87
Rot. Bonds4

About 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine

5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine (PubChem CID 107748140) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
PubChem CID107748140
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine
SMILESCc1c(N)cnc(SCCC(C)C)c1Br
InChIInChI=1S/C11H17BrN2S/c1-7(2)4-5-15-11-10(12)8(3)9(13)6-14-11/h6-7H,4-5,13H2,1-3H3
InChIKeyXTFIVKPGXSZPAD-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-butylsulfanyl-4-methylpyridin-3-amine
CID 104507641
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol
CID 104507687
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
CID 107754063
5-methyl-2-(3-methylbutylsulfanyl)pyridin-4-amine
CID 107748104
5-amino-6-(3-methylbutylsulfanyl)pyridine-3-carbonitrile
CID 107748198
6-methyl-2-(3-methylbutylsulfanyl)pyridin-3-amine
CID 107748105
3-bromo-4-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,5-diamine
CID 104506559
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
5-bromo-4,6-dimethylpyridin-3-amine
CID 7060666
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
5-bromo-6-(3,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 112736273

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine (CID 107748140) is 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine is Cc1c(N)cnc(SCCC(C)C)c1Br.
What is the InChIKey of 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine?
The InChIKey is XTFIVKPGXSZPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-7(2)4-5-15-11-10(12)8(3)9(13)6-14-11/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine?
5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine has a molecular weight of 289.24 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-6-(3-methylbutylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 107748140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).