5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine

C12H15BrN4 — CID 114869393

IUPAC5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
SMILESCc1cc(NCCCc2ncc[nH]2)ncc1Br
InChIInChI=1S/C12H15BrN4/c1-9-7-12(17-8-10(9)13)14-4-2-3-11-15-5-6-16-11/h5-8H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyFLDICJZYTXRYPX-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.92
Rot. Bonds5

About 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine

5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine (PubChem CID 114869393) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
PubChem CID114869393
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
SMILESCc1cc(NCCCc2ncc[nH]2)ncc1Br
InChIInChI=1S/C12H15BrN4/c1-9-7-12(17-8-10(9)13)14-4-2-3-11-15-5-6-16-11/h5-8H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyFLDICJZYTXRYPX-UHFFFAOYSA-N
XLogP2.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylpyridin-2-amine
CID 83335226
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
5-bromo-N-[2-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
CID 130540621
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
CID 102769078
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyridin-2-amine
CID 106173773

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine (CID 114869393) is 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine is Cc1cc(NCCCc2ncc[nH]2)ncc1Br.
What is the InChIKey of 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine?
The InChIKey is FLDICJZYTXRYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9-7-12(17-8-10(9)13)14-4-2-3-11-15-5-6-16-11/h5-8H,2-4H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine?
5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 114869393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).