5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine

C12H20BrN3O — CID 104507374

IUPAC5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(OCC(C)(C)N(C)C)c1Br
InChIInChI=1S/C12H20BrN3O/c1-8-9(14)6-15-11(10(8)13)17-7-12(2,3)16(4)5/h6H,7,14H2,1-5H3
InChIKeyPZCQXLJBWRYJKB-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.45
Rot. Bonds4

About 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine

5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine (PubChem CID 104507374) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine
PubChem CID104507374
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(OCC(C)(C)N(C)C)c1Br
InChIInChI=1S/C12H20BrN3O/c1-8-9(14)6-15-11(10(8)13)17-7-12(2,3)16(4)5/h6H,7,14H2,1-5H3
InChIKeyPZCQXLJBWRYJKB-UHFFFAOYSA-N
XLogP2.45
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine?
The IUPAC name of 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine (CID 104507374) is 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine is Cc1c(N)cnc(OCC(C)(C)N(C)C)c1Br.
What is the InChIKey of 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine?
The InChIKey is PZCQXLJBWRYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-8-9(14)6-15-11(10(8)13)17-7-12(2,3)16(4)5/h6H,7,14H2,1-5H3.
What are the key properties of 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine?
5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine has a molecular weight of 302.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[2-(dimethylamino)-2-methylpropoxy]-4-methylpyridin-3-amine is sourced from PubChem (CID 104507374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).