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

C13H10BrN3O — CID 696188

IUPAC2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1Br
InChIInChI=1S/C13H10BrN3O/c1-18-12-4-3-9(7-10(12)14)11-8-17-6-2-5-15-13(17)16-11/h2-8H,1H3
InChIKeyYBONWBBFDFUEBN-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.17
Rot. Bonds2

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

2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 696188) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
PubChem CID696188
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1Br
InChIInChI=1S/C13H10BrN3O/c1-18-12-4-3-9(7-10(12)14)11-8-17-6-2-5-15-13(17)16-11/h2-8H,1H3
InChIKeyYBONWBBFDFUEBN-UHFFFAOYSA-N
XLogP3.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240
3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122285550
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
CID 122285536
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 121024205
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiophene-2-carboxamide
CID 122285495
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033104
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285443

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine (CID 696188) is 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine is COc1ccc(-c2cn3cccnc3n2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is YBONWBBFDFUEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c1-18-12-4-3-9(7-10(12)14)11-8-17-6-2-5-15-13(17)16-11/h2-8H,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 304.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 696188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).