ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

C15H15N3O3 — CID 11781096

IUPACethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2c(nc1=O)N(c1ccccc1)CC2
InChIInChI=1S/C15H15N3O3/c1-2-21-14(20)12-10-17-8-9-18(15(17)16-13(12)19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyPJDGXFDMFBDKHG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.57
Rot. Bonds3

About ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 11781096) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID11781096
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Nameethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn2c(nc1=O)N(c1ccccc1)CC2
InChIInChI=1S/C15H15N3O3/c1-2-21-14(20)12-10-17-8-9-18(15(17)16-13(12)19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3
InChIKeyPJDGXFDMFBDKHG-UHFFFAOYSA-N
XLogP1.57
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11823208
ethyl 1-(3,4-dichlorophenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11810355
ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
CID 20617957
ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713520
ethyl 7-oxo-1,6-diphenyl-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 11566693
ethyl 1-(2-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 139230217
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
ethyl 5-(3-oxopropyl)-1-phenylpyrazole-4-carboxylate
CID 71567359
diethyl 3-hydroxy-1-phenylpyrrole-2,4-dicarboxylate
CID 71370863
ethyl 4,5-dioxo-1-phenylpyrazole-3-carboxylate
CID 23446953
diethyl 2-oxo-1-phenylpiperidine-4,4-dicarboxylate
CID 54527623
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (CID 11781096) is ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cn2c(nc1=O)N(c1ccccc1)CC2.
What is the InChIKey of ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is PJDGXFDMFBDKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-21-14(20)12-10-17-8-9-18(15(17)16-13(12)19)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3.
What are the key properties of ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 11781096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).