2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine

C12H10BrN3O3 — CID 104654244

IUPAC2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(-c3ccc(Br)o3)nc2n1
InChIInChI=1S/C12H10BrN3O3/c1-17-10-5-11(18-2)16-6-7(14-12(16)15-10)8-3-4-9(13)19-8/h3-6H,1-2H3
InChIKeyRHQVJMBXLJOULX-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.77
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine

2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine (PubChem CID 104654244) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
PubChem CID104654244
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
SMILESCOc1cc(OC)n2cc(-c3ccc(Br)o3)nc2n1
InChIInChI=1S/C12H10BrN3O3/c1-17-10-5-11(18-2)16-6-7(14-12(16)15-10)8-3-4-9(13)19-8/h3-6H,1-2H3
InChIKeyRHQVJMBXLJOULX-UHFFFAOYSA-N
XLogP2.77
TPSA61.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethoxy-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 115404204
2-(5-bromofuran-2-yl)-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 104654247
5,7-dimethoxy-2-(2-methylphenyl)imidazo[1,2-a]pyrimidine
CID 115404138
2-(3,5-difluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
CID 115404143
5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine
CID 115404185
2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
CID 115404113
4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)-2,5-dimethyl-1,3-thiazole
CID 115404161
2-(5-bromofuran-2-yl)-7-methoxyimidazo[1,2-a]pyridine
CID 117134754
N-benzyl-4-(5,7-dimethoxyimidazo[1,2-a]pyrimidin-2-yl)aniline
CID 90681275
5,7-dimethoxy-2-(1-methylcyclopropyl)imidazo[1,2-a]pyrimidine
CID 115404195
4-bromo-6-(5-bromofuran-2-yl)pyrimidine
CID 121205669
6-(5-bromofuran-2-yl)-4-chloro-3-methoxypyridazine
CID 117106452

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine (CID 104654244) is 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine is COc1cc(OC)n2cc(-c3ccc(Br)o3)nc2n1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine?
The InChIKey is RHQVJMBXLJOULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c1-17-10-5-11(18-2)16-6-7(14-12(16)15-10)8-3-4-9(13)19-8/h3-6H,1-2H3.
What are the key properties of 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine?
2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine has a molecular weight of 324.13 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 104654244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).