ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate

C13H23N5O2 — CID 83023157

IUPACethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(N2CCN(C)CC2)c1N
InChIInChI=1S/C13H23N5O2/c1-4-10-15-11(13(19)20-5-2)12(14)18(10)17-8-6-16(3)7-9-17/h4-9,14H2,1-3H3
InChIKeyWIKQFZGRLIOPRF-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.09
Rot. Bonds4

About ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate (PubChem CID 83023157) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
PubChem CID83023157
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nameethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(N2CCN(C)CC2)c1N
InChIInChI=1S/C13H23N5O2/c1-4-10-15-11(13(19)20-5-2)12(14)18(10)17-8-6-16(3)7-9-17/h4-9,14H2,1-3H3
InChIKeyWIKQFZGRLIOPRF-UHFFFAOYSA-N
XLogP0.09
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
CID 83023244
ethyl 5-amino-1-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 107165086
ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate
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CID 106211501
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CID 102700414
ethyl 5-amino-2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)imidazole-4-carboxylate
CID 64669606
ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate
CID 62844226
ethyl 5-amino-2-ethyl-1-(oxolan-3-yl)imidazole-4-carboxylate
CID 80715218
ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645921
ethyl 5-amino-2-ethyl-1-[(2-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 63302991
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate (CID 83023157) is ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(N2CCN(C)CC2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate?
The InChIKey is WIKQFZGRLIOPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-10-15-11(13(19)20-5-2)12(14)18(10)17-8-6-16(3)7-9-17/h4-9,14H2,1-3H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate is sourced from PubChem (CID 83023157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).