3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine

C12H15BrN4 — CID 106875615

IUPAC3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NC(C)Cn2ccnc2)c1Br
InChIInChI=1S/C12H15BrN4/c1-9-3-4-15-12(11(9)13)16-10(2)7-17-6-5-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16)
InChIKeyFSZMCTVTLSZJSX-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.85
Rot. Bonds4

About 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine

3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine (PubChem CID 106875615) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
PubChem CID106875615
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NC(C)Cn2ccnc2)c1Br
InChIInChI=1S/C12H15BrN4/c1-9-3-4-15-12(11(9)13)16-10(2)7-17-6-5-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16)
InChIKeyFSZMCTVTLSZJSX-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

Analyze 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 106875596
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
CID 106875617
N-(1-imidazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731094
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 79076506
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
3-bromo-4-methyl-N-pent-4-en-2-ylpyridin-2-amine
CID 106875917
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine (CID 106875615) is 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine is Cc1ccnc(NC(C)Cn2ccnc2)c1Br.
What is the InChIKey of 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine?
The InChIKey is FSZMCTVTLSZJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-9-3-4-15-12(11(9)13)16-10(2)7-17-6-5-14-8-17/h3-6,8,10H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine?
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-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 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106875615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).