3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine

C11H17BrN2OS — CID 105367164

IUPAC3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
SMILESCc1cnc(NC(C)CCS(C)=O)c(Br)c1
InChIInChI=1S/C11H17BrN2OS/c1-8-6-10(12)11(13-7-8)14-9(2)4-5-16(3)15/h6-7,9H,4-5H2,1-3H3,(H,13,14)
InChIKeyXCJJFIYCOCPPNT-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.72
Rot. Bonds5

About 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine

3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine (PubChem CID 105367164) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
PubChem CID105367164
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
SMILESCc1cnc(NC(C)CCS(C)=O)c(Br)c1
InChIInChI=1S/C11H17BrN2OS/c1-8-6-10(12)11(13-7-8)14-9(2)4-5-16(3)15/h6-7,9H,4-5H2,1-3H3,(H,13,14)
InChIKeyXCJJFIYCOCPPNT-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
CID 105366826
3-N-(3-bromo-5-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357664
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
CID 115715184
3-bromo-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282907
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115689354
1-(4-methylsulfinylbutan-2-ylamino)isoquinolin-7-ol
CID 106539731
4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
CID 115669300
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
CID 113260882
5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine
CID 66278018
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine (CID 105367164) is 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine is Cc1cnc(NC(C)CCS(C)=O)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine?
The InChIKey is XCJJFIYCOCPPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-8-6-10(12)11(13-7-8)14-9(2)4-5-16(3)15/h6-7,9H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine?
3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine has a molecular weight of 305.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 105367164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).