3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine

C13H17BrN4 — CID 99841114

IUPAC3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)CCCn2ccnc2)c(Br)c1
InChIInChI=1S/C13H17BrN4/c1-11-8-12(14)13(16-9-11)17(2)5-3-6-18-7-4-15-10-18/h4,7-10H,3,5-6H2,1-2H3
InChIKeyBMVGOQPXQIVZLF-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.88
Rot. Bonds5

About 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine

3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine (PubChem CID 99841114) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine
PubChem CID99841114
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)CCCn2ccnc2)c(Br)c1
InChIInChI=1S/C13H17BrN4/c1-11-8-12(14)13(16-9-11)17(2)5-3-6-18-7-4-15-10-18/h4,7-10H,3,5-6H2,1-2H3
InChIKeyBMVGOQPXQIVZLF-UHFFFAOYSA-N
XLogP2.88
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine
CID 133376543
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine
CID 133472744
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
CID 133494736
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
CID 105366500
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
2-(3-imidazol-1-ylpropoxy)-4-methylaniline
CID 54961228
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
CID 105368755
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine (CID 99841114) is 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine is Cc1cnc(N(C)CCCn2ccnc2)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine?
The InChIKey is BMVGOQPXQIVZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-11-8-12(14)13(16-9-11)17(2)5-3-6-18-7-4-15-10-18/h4,7-10H,3,5-6H2,1-2H3.
What are the key properties of 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine?
3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine has a molecular weight of 309.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 99841114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).