4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine

C25H28N4O3 — CID 58223073

IUPAC4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine
SMILESC=CCOc1ccc(CNc2nc(Cc3ccc(OCC=C)cc3)nc(OCC)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-4-15-31-21-11-7-19(8-12-21)17-23-27-24(29-25(28-23)30-6-3)26-18-20-9-13-22(14-10-20)32-16-5-2/h4-5,7-14H,1-2,6,15-18H2,3H3,(H,26,27,28,29)
InChIKeyBIYMKPXKSXWYAC-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.60
Rot. Bonds13

About 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine

4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 58223073) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID58223073
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine
SMILESC=CCOc1ccc(CNc2nc(Cc3ccc(OCC=C)cc3)nc(OCC)n2)cc1
InChIInChI=1S/C25H28N4O3/c1-4-15-31-21-11-7-19(8-12-21)17-23-27-24(29-25(28-23)30-6-3)26-18-20-9-13-22(14-10-20)32-16-5-2/h4-5,7-14H,1-2,6,15-18H2,3H3,(H,26,27,28,29)
InChIKeyBIYMKPXKSXWYAC-UHFFFAOYSA-N
XLogP4.60
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80771579
tert-butyl 4-[[4-[(4-aminophenyl)methylamino]-6-ethoxy-1,3,5-triazin-2-yl]methyl]benzoate
CID 58223036
4-[[4-ethoxy-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol
CID 58039635
ethyl 4-[[4-ethoxy-6-[[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]methylamino]-1,3,5-triazin-2-yl]methyl]benzoate
CID 58223007
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine
CID 58039547
4-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]benzonitrile
CID 80904070
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
3,4-dichloro-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 40603028
1-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazol-4-amine
CID 43534816

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine (CID 58223073) is 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine is C=CCOc1ccc(CNc2nc(Cc3ccc(OCC=C)cc3)nc(OCC)n2)cc1.
What is the InChIKey of 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is BIYMKPXKSXWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-4-15-31-21-11-7-19(8-12-21)17-23-27-24(29-25(28-23)30-6-3)26-18-20-9-13-22(14-10-20)32-16-5-2/h4-5,7-14H,1-2,6,15-18H2,3H3,(H,26,27,28,29).
What are the key properties of 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine?
4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 432.52 g/mol, XLogP of 4.60, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58223073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).