methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate

C11H20N4O2 — CID 103545930

IUPACmethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(C(C)CN(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-7(6-14(3)4)15-8(2)13-9(10(15)12)11(16)17-5/h7H,6,12H2,1-5H3
InChIKeyMXLXMYXWCKNVQO-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.68
Rot. Bonds4

About methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate

methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate (PubChem CID 103545930) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
PubChem CID103545930
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Namemethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(C(C)CN(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-7(6-14(3)4)15-8(2)13-9(10(15)12)11(16)17-5/h7H,6,12H2,1-5H3
InChIKeyMXLXMYXWCKNVQO-UHFFFAOYSA-N
XLogP0.68
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
CID 82950242
methyl 5-amino-1-[1-(dimethylamino)-4-methylpentan-2-yl]-2-ethylimidazole-4-carboxylate
CID 103544952
methyl 5-amino-1-hex-1-yn-3-yl-2-methylimidazole-4-carboxylate
CID 106223728
methyl 5-amino-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate
CID 82950243
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
methyl 5-amino-2-ethyl-1-[1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 103545065
methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
CID 106338365
methyl 5-amino-2-ethyl-1-(1-phenylpropan-2-yl)imidazole-4-carboxylate
CID 103545438
methyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423925
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate (CID 103545930) is methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(C(C)CN(C)C)c1N.
What is the InChIKey of methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate?
The InChIKey is MXLXMYXWCKNVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7(6-14(3)4)15-8(2)13-9(10(15)12)11(16)17-5/h7H,6,12H2,1-5H3.
What are the key properties of methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate has a molecular weight of 240.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 103545930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).