5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine

C11H13BrN4 — CID 79718614

IUPAC5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1cnc[nH]1
InChIInChI=1S/C11H13BrN4/c1-8-4-9(12)5-15-11(8)14-3-2-10-6-13-7-16-10/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyKGHZYPGZUALKTJ-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.53
Rot. Bonds4

About 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine

5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine (PubChem CID 79718614) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
PubChem CID79718614
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NCCc1cnc[nH]1
InChIInChI=1S/C11H13BrN4/c1-8-4-9(12)5-15-11(8)14-3-2-10-6-13-7-16-10/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyKGHZYPGZUALKTJ-UHFFFAOYSA-N
XLogP2.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 65236933
5-bromo-N-[2-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718767
N-[2-(3H-benzimidazol-5-yl)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 115148660
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 65236814
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195023
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686
5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
CID 115148658
2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 64988409

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine (CID 79718614) is 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NCCc1cnc[nH]1.
What is the InChIKey of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine?
The InChIKey is KGHZYPGZUALKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-8-4-9(12)5-15-11(8)14-3-2-10-6-13-7-16-10/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine?
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine has a molecular weight of 281.16 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 79718614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).