ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate

C9H8ClN3O3 — CID 118992764

IUPACethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(=O)[nH]c(Cl)cc2n1
InChIInChI=1S/C9H8ClN3O3/c1-2-16-8(14)5-4-13-7(11-5)3-6(10)12-9(13)15/h3-4H,2H2,1H3,(H,12,15)
InChIKeyCUJBYAJHJNMBJS-UHFFFAOYSA-N
MW241.63 g/mol
LogP0.85
Rot. Bonds2

About ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate

ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate (PubChem CID 118992764) has the molecular formula C9H8ClN3O3 and a molecular weight of 241.63 g/mol. Its IUPAC name is ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
PubChem CID118992764
Molecular FormulaC9H8ClN3O3
Molecular Weight241.63 g/mol
Exact Mass241.03
IUPAC Nameethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(=O)[nH]c(Cl)cc2n1
InChIInChI=1S/C9H8ClN3O3/c1-2-16-8(14)5-4-13-7(11-5)3-6(10)12-9(13)15/h3-4H,2H2,1H3,(H,12,15)
InChIKeyCUJBYAJHJNMBJS-UHFFFAOYSA-N
XLogP0.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-oxo-5H-imidazo[1,2-b]pyridazine-2-carboxylate
CID 131439618
4-bromopyridine-2,6-diamine;ethyl 5-amino-7-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 7-bromo-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 161018045
ethyl 7-chloro-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 118992766
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 5-bromoimidazo[1,2-a]quinoline-2-carboxylate
CID 12763980
ethyl 6-chloroimidazo[1,2-a]quinoline-2-carboxylate
CID 12763984
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
ethane;ethyl 4-oxo-2-(1,1,2,2,2-pentafluoroethyl)-1H-imidazo[1,2-a][1,8]naphthyridine-8-carboxylate
CID 170622799
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 6-amino-8-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 131365721
ethyl 6,8-dichloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 90484321
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate (CID 118992764) is ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(=O)[nH]c(Cl)cc2n1.
What is the InChIKey of ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate?
The InChIKey is CUJBYAJHJNMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3/c1-2-16-8(14)5-4-13-7(11-5)3-6(10)12-9(13)15/h3-4H,2H2,1H3,(H,12,15).
What are the key properties of ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate?
ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate has a molecular weight of 241.63 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-5-oxo-6H-imidazo[1,2-c]pyrimidine-2-carboxylate is sourced from PubChem (CID 118992764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).