ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate

C12H15N5O2 — CID 107589805

IUPACethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2cncnc2)c1N
InChIInChI=1S/C12H15N5O2/c1-3-9-16-10(12(18)19-4-2)11(13)17(9)8-5-14-7-15-6-8/h5-7H,3-4,13H2,1-2H3
InChIKeyBFLYKFIBONJXFG-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.98
Rot. Bonds4

About ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate (PubChem CID 107589805) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
PubChem CID107589805
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Nameethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2cncnc2)c1N
InChIInChI=1S/C12H15N5O2/c1-3-9-16-10(12(18)19-4-2)11(13)17(9)8-5-14-7-15-6-8/h5-7H,3-4,13H2,1-2H3
InChIKeyBFLYKFIBONJXFG-UHFFFAOYSA-N
XLogP0.98
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-2-ethyl-1-(1,3,4-thiadiazol-2-yl)imidazole-4-carboxylate
CID 107645921
methyl 5-amino-1-(3,5-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103544272
methyl 5-amino-2-ethyl-1-(1-ethylpyrazol-4-yl)imidazole-4-carboxylate
CID 103544795
methyl 5-amino-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375
ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate
CID 63465967
methyl 5-amino-1-(3-ethoxyphenyl)-2-ethylimidazole-4-carboxylate
CID 103545034
methyl 5-amino-2-ethyl-1-(thiadiazol-5-yl)imidazole-4-carboxylate
CID 107649031
ethyl 5-amino-2-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-carboxylate
CID 65232235
ethyl 5-amino-2-methyl-1-(1,2-oxazol-4-yl)imidazole-4-carboxylate
CID 62913975
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
CID 102700414

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate (CID 107589805) is ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(-c2cncnc2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate?
The InChIKey is BFLYKFIBONJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-9-16-10(12(18)19-4-2)11(13)17(9)8-5-14-7-15-6-8/h5-7H,3-4,13H2,1-2H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-pyrimidin-5-ylimidazole-4-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 0.98, 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-pyrimidin-5-ylimidazole-4-carboxylate is sourced from PubChem (CID 107589805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).