3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine

C13H17BrN4 — CID 23768076

IUPAC3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCC1CCN(Cc2nc3ncccn3c2Br)CC1
InChIInChI=1S/C13H17BrN4/c1-10-3-7-17(8-4-10)9-11-12(14)18-6-2-5-15-13(18)16-11/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyTWFOIHXEVFNNQK-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.72
Rot. Bonds2

About 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine

3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 23768076) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
PubChem CID23768076
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCC1CCN(Cc2nc3ncccn3c2Br)CC1
InChIInChI=1S/C13H17BrN4/c1-10-3-7-17(8-4-10)9-11-12(14)18-6-2-5-15-13(18)16-11/h2,5-6,10H,3-4,7-9H2,1H3
InChIKeyTWFOIHXEVFNNQK-UHFFFAOYSA-N
XLogP2.72
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-ylmethyl)-3-bromoimidazo[1,2-a]pyrimidine
CID 23965064
8-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 23908255
N-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-ethylethanamine
CID 5008895
3-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]thiolane 1,1-dioxide
CID 3259185
3-bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3731510
N-(4-methylcyclohexyl)-2-(2-methylpropyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952795
3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 1384710
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
6,8-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]benzimidazole
CID 115403443
2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 82510170
2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-3-amine
CID 104739860
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine (CID 23768076) is 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine is CC1CCN(Cc2nc3ncccn3c2Br)CC1.
What is the InChIKey of 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is TWFOIHXEVFNNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-10-3-7-17(8-4-10)9-11-12(14)18-6-2-5-15-13(18)16-11/h2,5-6,10H,3-4,7-9H2,1H3.
What are the key properties of 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 309.21 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 23768076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).