3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine

C11H18BrN3O — CID 104506698

IUPAC3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
SMILESCOCC(C)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-7(6-16-3)4-14-11-10(12)8(2)9(13)5-15-11/h5,7H,4,6,13H2,1-3H3,(H,14,15)
InChIKeyPPQJQSKUHWYHSQ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.43
Rot. Bonds5

About 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine

3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine (PubChem CID 104506698) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
PubChem CID104506698
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
SMILESCOCC(C)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-7(6-16-3)4-14-11-10(12)8(2)9(13)5-15-11/h5,7H,4,6,13H2,1-3H3,(H,14,15)
InChIKeyPPQJQSKUHWYHSQ-UHFFFAOYSA-N
XLogP2.43
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-4-methylpyridine-2,3-diamine
CID 10125141
5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine
CID 75379547
5-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 43153315
5-bromo-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 75514222
5-bromo-2-N-[2-(trifluoromethoxy)ethyl]pyridine-2,3-diamine
CID 68872389
5-bromo-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,3-diamine
CID 55260103
3-bromo-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine
CID 79534737
2-N-(3-methoxypropyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 84007855
2-N-(3-ethoxypropyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 84007884
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyridin-2-amine
CID 103081342
3-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 103081343
3-bromo-2-N-[2-(4-fluorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 104506243

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine (CID 104506698) is 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine is COCC(C)CNc1ncc(N)c(C)c1Br.
What is the InChIKey of 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine?
The InChIKey is PPQJQSKUHWYHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-7(6-16-3)4-14-11-10(12)8(2)9(13)5-15-11/h5,7H,4,6,13H2,1-3H3,(H,14,15).
What are the key properties of 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine?
3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine has a molecular weight of 288.19 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).