methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate

C8H6BrN3O2 — CID 51072303

IUPACmethyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cn2cc(Br)cnc2n1
InChIInChI=1S/C8H6BrN3O2/c1-14-7(13)6-4-12-3-5(9)2-10-8(12)11-6/h2-4H,1H3
InChIKeyVCFVIMKCUIJCRI-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.28
Rot. Bonds1

About methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate

methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 51072303) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID51072303
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Namemethyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cn2cc(Br)cnc2n1
InChIInChI=1S/C8H6BrN3O2/c1-14-7(13)6-4-12-3-5(9)2-10-8(12)11-6/h2-4H,1H3
InChIKeyVCFVIMKCUIJCRI-UHFFFAOYSA-N
XLogP1.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate (CID 51072303) is methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1cn2cc(Br)cnc2n1.
What is the InChIKey of methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is VCFVIMKCUIJCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c1-14-7(13)6-4-12-3-5(9)2-10-8(12)11-6/h2-4H,1H3.
What are the key properties of methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate?
methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 256.06 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 51072303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).