4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine

C12H18N6O — CID 80857032

IUPAC4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-n2ccnc2CC)n1
InChIInChI=1S/C12H18N6O/c1-4-9-14-7-8-18(9)11-15-10(13-5-2)16-12(17-11)19-6-3/h7-8H,4-6H2,1-3H3,(H,13,15,16,17)
InChIKeyJPIXATILLCEINC-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.45
Rot. Bonds6

About 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine

4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80857032) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80857032
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-n2ccnc2CC)n1
InChIInChI=1S/C12H18N6O/c1-4-9-14-7-8-18(9)11-15-10(13-5-2)16-12(17-11)19-6-3/h7-8H,4-6H2,1-3H3,(H,13,15,16,17)
InChIKeyJPIXATILLCEINC-UHFFFAOYSA-N
XLogP1.45
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-N-methyl-6-(2-methylimidazol-1-yl)-1,3,5-triazin-2-amine
CID 80853154
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
4-ethoxy-N-ethyl-6-[(1-propylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 79733828
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 103541981
4-ethoxy-N-ethyl-6-(4-iodopyrazol-1-yl)-1,3,5-triazin-2-amine
CID 80868737
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80816942
4-ethoxy-6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80914033
4-(2-ethoxyethoxy)-N-ethyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80858138
6-ethoxy-4-N-ethyl-2-N-(2-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80809601

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine (CID 80857032) is 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(-n2ccnc2CC)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is JPIXATILLCEINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-9-14-7-8-18(9)11-15-10(13-5-2)16-12(17-11)19-6-3/h7-8H,4-6H2,1-3H3,(H,13,15,16,17).
What are the key properties of 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80857032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).