6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine

C14H12BrN3O — CID 115404592

IUPAC6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3ncc(Br)cn3c2C)cc1
InChIInChI=1S/C14H12BrN3O/c1-9-13(10-3-5-12(19-2)6-4-10)17-14-16-7-11(15)8-18(9)14/h3-8H,1-2H3
InChIKeyCQWMHIZEBAVGBI-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.48
Rot. Bonds2

About 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine

6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine (PubChem CID 115404592) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
PubChem CID115404592
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3ncc(Br)cn3c2C)cc1
InChIInChI=1S/C14H12BrN3O/c1-9-13(10-3-5-12(19-2)6-4-10)17-14-16-7-11(15)8-18(9)14/h3-8H,1-2H3
InChIKeyCQWMHIZEBAVGBI-UHFFFAOYSA-N
XLogP3.48
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
3-(4-bromophenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 69375756
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 142362621
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338761
4-[6-bromo-2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylimidazole-1-sulfonamide
CID 171521889
4-(4-bromophenyl)-2-ethyl-5-(4-methoxyphenyl)triazole
CID 71126308
2-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)-6-nitroimidazo[1,2-a]pyrimidine
CID 69378587
6-bromo-2-(4-fluorophenyl)-3,8-dimethylimidazo[1,2-a]pyridine
CID 83170660
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
3-bromo-2-fluoro-6-(4-methoxyphenyl)pyridine
CID 172992709
4-bromo-5-(4-methoxyphenyl)-2-methyl-1-(trifluoromethyl)imidazole
CID 177241284

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine (CID 115404592) is 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine is COc1ccc(-c2nc3ncc(Br)cn3c2C)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine?
The InChIKey is CQWMHIZEBAVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-9-13(10-3-5-12(19-2)6-4-10)17-14-16-7-11(15)8-18(9)14/h3-8H,1-2H3.
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine?
6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine has a molecular weight of 318.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).