ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate

C19H20N4O3 — CID 42740215

IUPACethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(/C=C/c2ccccc2OC)nc2ncccn12
InChIInChI=1S/C19H20N4O3/c1-3-26-17(24)13-21-18-15(22-19-20-11-6-12-23(18)19)10-9-14-7-4-5-8-16(14)25-2/h4-12,21H,3,13H2,1-2H3/b10-9+
InChIKeyOFBKJJKLXNKNER-MDZDMXLPSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds7

About ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate

ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate (PubChem CID 42740215) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate
PubChem CID42740215
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(/C=C/c2ccccc2OC)nc2ncccn12
InChIInChI=1S/C19H20N4O3/c1-3-26-17(24)13-21-18-15(22-19-20-11-6-12-23(18)19)10-9-14-7-4-5-8-16(14)25-2/h4-12,21H,3,13H2,1-2H3/b10-9+
InChIKeyOFBKJJKLXNKNER-MDZDMXLPSA-N
XLogP2.88
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate with MolForge

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Related Compounds

N-tert-butyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-amine
CID 42740276
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
ethyl 2-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738235
ethyl 2-[[2-(2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 42738298
N-benzyl-2-[2-(2-methoxyphenyl)ethenyl]-5-methylimidazo[1,2-a]pyridin-3-amine
CID 4271216
ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 3983892
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
2-[2-(2-methoxyphenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 141144702
ethyl 2-methoxy-6-[2-(1-tritylimidazol-2-yl)ethenyl]benzoate
CID 75210654
(2-methoxyphenyl)-[4-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperazin-1-yl]methanone
CID 74237962
ethyl 2-[(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 861262
(E)-3-(2-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)prop-2-en-1-amine
CID 56823424

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate (CID 42740215) is ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate is CCOC(=O)CNc1c(/C=C/c2ccccc2OC)nc2ncccn12.
What is the InChIKey of ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate?
The InChIKey is OFBKJJKLXNKNER-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-26-17(24)13-21-18-15(22-19-20-11-6-12-23(18)19)10-9-14-7-4-5-8-16(14)25-2/h4-12,21H,3,13H2,1-2H3/b10-9+.
What are the key properties of ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate?
ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate has a molecular weight of 352.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(E)-2-(2-methoxyphenyl)ethenyl]imidazo[1,2-a]pyrimidin-3-yl]amino]acetate is sourced from PubChem (CID 42740215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).