4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine

C14H14N6O — CID 80845966

IUPAC4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCc1cccc(Oc2nc(N)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C14H14N6O/c1-2-10-4-3-5-11(8-10)21-14-18-12(15)17-13(19-14)20-7-6-16-9-20/h3-9H,2H2,1H3,(H2,15,17,18,19)
InChIKeyUSEZAOYLEOBHFX-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.99
Rot. Bonds4

About 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine

4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80845966) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80845966
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
SMILESCCc1cccc(Oc2nc(N)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C14H14N6O/c1-2-10-4-3-5-11(8-10)21-14-18-12(15)17-13(19-14)20-7-6-16-9-20/h3-9H,2H2,1H3,(H2,15,17,18,19)
InChIKeyUSEZAOYLEOBHFX-UHFFFAOYSA-N
XLogP1.99
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80846676
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80859995
4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81314424
4-(2,4-dichlorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80865737
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80880645
2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868280
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80858888
4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176493

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine (CID 80845966) is 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is CCc1cccc(Oc2nc(N)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is USEZAOYLEOBHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-10-4-3-5-11(8-10)21-14-18-12(15)17-13(19-14)20-7-6-16-9-20/h3-9H,2H2,1H3,(H2,15,17,18,19).
What are the key properties of 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine?
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 282.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80845966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).