methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate

C8H6ClN3O2 — CID 86685312

IUPACmethyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc2nccn2c(Cl)n1
InChIInChI=1S/C8H6ClN3O2/c1-14-7(13)5-4-6-10-2-3-12(6)8(9)11-5/h2-4H,1H3
InChIKeyGANPLICYVCXNCL-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.17
Rot. Bonds1

About methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate

methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate (PubChem CID 86685312) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate
PubChem CID86685312
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Namemethyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc2nccn2c(Cl)n1
InChIInChI=1S/C8H6ClN3O2/c1-14-7(13)5-4-6-10-2-3-12(6)8(9)11-5/h2-4H,1H3
InChIKeyGANPLICYVCXNCL-UHFFFAOYSA-N
XLogP1.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate (CID 86685312) is methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate is COC(=O)c1cc2nccn2c(Cl)n1.
What is the InChIKey of methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate?
The InChIKey is GANPLICYVCXNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-14-7(13)5-4-6-10-2-3-12(6)8(9)11-5/h2-4H,1H3.
What are the key properties of methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate?
methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate has a molecular weight of 211.61 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloroimidazo[1,2-c]pyrimidine-7-carboxylate is sourced from PubChem (CID 86685312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).