5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine

C10H15BrN2O — CID 103915071

IUPAC5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine
SMILESCOCC(C)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C10H15BrN2O/c1-7(6-14-3)12-10-5-4-9(11)8(2)13-10/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyBCLUFELVGNSVQH-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.60
Rot. Bonds4

About 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine

5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine (PubChem CID 103915071) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine
PubChem CID103915071
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine
SMILESCOCC(C)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C10H15BrN2O/c1-7(6-14-3)12-10-5-4-9(11)8(2)13-10/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyBCLUFELVGNSVQH-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine (CID 103915071) is 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine is COCC(C)Nc1ccc(Br)c(C)n1.
What is the InChIKey of 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine?
The InChIKey is BCLUFELVGNSVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7(6-14-3)12-10-5-4-9(11)8(2)13-10/h4-5,7H,6H2,1-3H3,(H,12,13).
What are the key properties of 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine?
5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine has a molecular weight of 259.15 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine is sourced from PubChem (CID 103915071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).