5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine

C11H17BrN4 — CID 63164355

IUPAC5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
SMILESCN(C)C1CCN(c2ncc(Br)cc2N)C1
InChIInChI=1S/C11H17BrN4/c1-15(2)9-3-4-16(7-9)11-10(13)5-8(12)6-14-11/h5-6,9H,3-4,7,13H2,1-2H3
InChIKeyOORQOUMGCWOBPI-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.57
Rot. Bonds2

About 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine

5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine (PubChem CID 63164355) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
PubChem CID63164355
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
SMILESCN(C)C1CCN(c2ncc(Br)cc2N)C1
InChIInChI=1S/C11H17BrN4/c1-15(2)9-3-4-16(7-9)11-10(13)5-8(12)6-14-11/h5-6,9H,3-4,7,13H2,1-2H3
InChIKeyOORQOUMGCWOBPI-UHFFFAOYSA-N
XLogP1.57
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine (CID 63164355) is 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine is CN(C)C1CCN(c2ncc(Br)cc2N)C1.
What is the InChIKey of 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine?
The InChIKey is OORQOUMGCWOBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-15(2)9-3-4-16(7-9)11-10(13)5-8(12)6-14-11/h5-6,9H,3-4,7,13H2,1-2H3.
What are the key properties of 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine?
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine has a molecular weight of 285.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 63164355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).