ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate

C9H8BrN3O2 — CID 90411244

IUPACethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2ccncn2c1Br
InChIInChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8(10)13-5-11-4-3-6(13)12-7/h3-5H,2H2,1H3
InChIKeyDDVURYJLOCYEKR-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.67
Rot. Bonds2

About ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate

ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate (PubChem CID 90411244) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
PubChem CID90411244
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Nameethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc2ccncn2c1Br
InChIInChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8(10)13-5-11-4-3-6(13)12-7/h3-5H,2H2,1H3
InChIKeyDDVURYJLOCYEKR-UHFFFAOYSA-N
XLogP1.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 137355302
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate
CID 121229225
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
1-(3-methylimidazo[1,2-c]pyrimidin-2-yl)propan-2-one
CID 84661955
ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate
CID 154727950
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522
ethyl 2-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)pentanoate
CID 79822751

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate (CID 90411244) is ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate is CCOC(=O)c1nc2ccncn2c1Br.
What is the InChIKey of ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate?
The InChIKey is DDVURYJLOCYEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8(10)13-5-11-4-3-6(13)12-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate?
ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate has a molecular weight of 270.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate is sourced from PubChem (CID 90411244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).