ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate

C14H16N6O2 — CID 126836734

IUPACethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(CCNc2cc(C#N)nc(C)n2)cn1
InChIInChI=1S/C14H16N6O2/c1-3-22-14(21)12-8-20(9-17-12)5-4-16-13-6-11(7-15)18-10(2)19-13/h6,8-9H,3-5H2,1-2H3,(H,16,18,19)
InChIKeySKFLCKNFBWBDGX-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.14
Rot. Bonds6

About ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate

ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate (PubChem CID 126836734) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate
PubChem CID126836734
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Nameethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(CCNc2cc(C#N)nc(C)n2)cn1
InChIInChI=1S/C14H16N6O2/c1-3-22-14(21)12-8-20(9-17-12)5-4-16-13-6-11(7-15)18-10(2)19-13/h6,8-9H,3-5H2,1-2H3,(H,16,18,19)
InChIKeySKFLCKNFBWBDGX-UHFFFAOYSA-N
XLogP1.14
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107499092
ethyl 1-[2-[(3-cyanophenyl)carbamoylamino]ethyl]imidazole-4-carboxylate
CID 126839708
1-[2-[(4-ethoxycarbonyl-1,3-oxazol-2-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498278
1-[2-[(4-cyano-2-pyridinyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498964
ethyl 1-[2-[(7-chloropyrido[2,3-d]pyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate
CID 127266751
1-[2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]ethyl]imidazole-4-carboxylic acid
CID 107498571
ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate
CID 12025017
ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-carboxylate
CID 114203731
1-[2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 66332703
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645
ethyl 1-(5-bromo-2-cyanophenyl)imidazole-4-carboxylate
CID 114203807
ethyl 1-(2-cyano-3-methylphenyl)imidazole-4-carboxylate
CID 114203796

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate (CID 126836734) is ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate is CCOC(=O)c1cn(CCNc2cc(C#N)nc(C)n2)cn1.
What is the InChIKey of ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate?
The InChIKey is SKFLCKNFBWBDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-3-22-14(21)12-8-20(9-17-12)5-4-16-13-6-11(7-15)18-10(2)19-13/h6,8-9H,3-5H2,1-2H3,(H,16,18,19).
What are the key properties of ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate?
ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate has a molecular weight of 300.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(6-cyano-2-methylpyrimidin-4-yl)amino]ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 126836734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).