5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine

C12H15BrN4 — CID 79718384

IUPAC5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)Cn1ccnc1
InChIInChI=1S/C12H15BrN4/c1-9-5-11(13)6-15-12(9)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16)
InChIKeyRTHSLBJLHRMEAO-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.85
Rot. Bonds4

About 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine

5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine (PubChem CID 79718384) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
PubChem CID79718384
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC(C)Cn1ccnc1
InChIInChI=1S/C12H15BrN4/c1-9-5-11(13)6-15-12(9)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16)
InChIKeyRTHSLBJLHRMEAO-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine (CID 79718384) is 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NC(C)Cn1ccnc1.
What is the InChIKey of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine?
The InChIKey is RTHSLBJLHRMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9-5-11(13)6-15-12(9)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine?
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine is sourced from PubChem (CID 79718384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).