methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate

C8H9N3O3 — CID 138740457

IUPACmethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)C1CC(=O)Nc2nccn21
InChIInChI=1S/C8H9N3O3/c1-14-7(13)5-4-6(12)10-8-9-2-3-11(5)8/h2-3,5H,4H2,1H3,(H,9,10,12)
InChIKeyJCDUJSYLDKJQDV-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.06
Rot. Bonds1

About methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate

methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate (PubChem CID 138740457) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate
PubChem CID138740457
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Namemethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate
SMILESCOC(=O)C1CC(=O)Nc2nccn21
InChIInChI=1S/C8H9N3O3/c1-14-7(13)5-4-6(12)10-8-9-2-3-11(5)8/h2-3,5H,4H2,1H3,(H,9,10,12)
InChIKeyJCDUJSYLDKJQDV-UHFFFAOYSA-N
XLogP-0.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate (CID 138740457) is methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate is COC(=O)C1CC(=O)Nc2nccn21.
What is the InChIKey of methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate?
The InChIKey is JCDUJSYLDKJQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-7(13)5-4-6(12)10-8-9-2-3-11(5)8/h2-3,5H,4H2,1H3,(H,9,10,12).
What are the key properties of methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate?
methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate has a molecular weight of 195.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 138740457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).