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

C11H16BrN3O — CID 104506459

IUPAC3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC2CCOCC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-9(13)6-14-11(10(7)12)15-8-2-4-16-5-3-8/h6,8H,2-5,13H2,1H3,(H,14,15)
InChIKeyQBAQNNAHNCZAMS-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.33
Rot. Bonds2

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

3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine (PubChem CID 104506459) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine
PubChem CID104506459
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NC2CCOCC2)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-9(13)6-14-11(10(7)12)15-8-2-4-16-5-3-8/h6,8H,2-5,13H2,1H3,(H,14,15)
InChIKeyQBAQNNAHNCZAMS-UHFFFAOYSA-N
XLogP2.33
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methyl-2-N-(4-propylcyclohexyl)pyridine-2,5-diamine
CID 104506588
3-bromo-2-N-(3,5-dimethylcyclohexyl)-4-methylpyridine-2,5-diamine
CID 104506924
3-bromo-4-methyl-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,5-diamine
CID 104507129
3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 104506777
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 104506749
2-N-(oxan-4-yl)pyridine-2,3-diamine
CID 43609746
3-bromo-2-N-(1,4-dioxan-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 104506484
3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
CID 104506572
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
5-bromo-4-methyl-6-morpholin-4-ylpyridin-3-amine
CID 104506171
5-bromo-6-cyclopentyloxy-4-methylpyridin-3-amine
CID 104507203

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine (CID 104506459) is 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine is Cc1c(N)cnc(NC2CCOCC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine?
The InChIKey is QBAQNNAHNCZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-9(13)6-14-11(10(7)12)15-8-2-4-16-5-3-8/h6,8H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine has a molecular weight of 286.17 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine is sourced from PubChem (CID 104506459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).