5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine

C11H18BrN3O — CID 65047155

IUPAC5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
SMILESCOCC(Nc1ncc(Br)cc1N)C(C)C
InChIInChI=1S/C11H18BrN3O/c1-7(2)10(6-16-3)15-11-9(13)4-8(12)5-14-11/h4-5,7,10H,6,13H2,1-3H3,(H,14,15)
InChIKeyQJXXEQGVCDNMAA-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.51
Rot. Bonds5

About 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine

5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine (PubChem CID 65047155) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
PubChem CID65047155
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
SMILESCOCC(Nc1ncc(Br)cc1N)C(C)C
InChIInChI=1S/C11H18BrN3O/c1-7(2)10(6-16-3)15-11-9(13)4-8(12)5-14-11/h4-5,7,10H,6,13H2,1-3H3,(H,14,15)
InChIKeyQJXXEQGVCDNMAA-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 61229631
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
CID 104506932
4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
CID 79918826
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine
CID 65048689
5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 103580433
5-amino-2-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 65049915
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 65053033
5-bromo-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 106215700
5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine
CID 54963875
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine (CID 65047155) is 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine is COCC(Nc1ncc(Br)cc1N)C(C)C.
What is the InChIKey of 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine?
The InChIKey is QJXXEQGVCDNMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-7(2)10(6-16-3)15-11-9(13)4-8(12)5-14-11/h4-5,7,10H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine?
5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine has a molecular weight of 288.19 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine is sourced from PubChem (CID 65047155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).