3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine

C11H18BrN3 — CID 104506284

IUPAC3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
SMILESCCC(C)(C)Nc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3/c1-5-11(3,4)15-10-9(12)7(2)8(13)6-14-10/h6H,5,13H2,1-4H3,(H,14,15)
InChIKeyDJSSCKNGMVEPFQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.34
Rot. Bonds3

About 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine (PubChem CID 104506284) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
PubChem CID104506284
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
SMILESCCC(C)(C)Nc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3/c1-5-11(3,4)15-10-9(12)7(2)8(13)6-14-10/h6H,5,13H2,1-4H3,(H,14,15)
InChIKeyDJSSCKNGMVEPFQ-UHFFFAOYSA-N
XLogP3.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 104506915
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397
3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
CID 104506588

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine (CID 104506284) is 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine is CCC(C)(C)Nc1ncc(N)c(C)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine?
The InChIKey is DJSSCKNGMVEPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-5-11(3,4)15-10-9(12)7(2)8(13)6-14-10/h6H,5,13H2,1-4H3,(H,14,15).
What are the key properties of 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine has a molecular weight of 272.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 104506284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).