1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one

C21H23N5O2 — CID 18079129

IUPAC1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2nc(N)nc(Nc3ccccc3CC)n2)cc1
InChIInChI=1S/C21H23N5O2/c1-3-14-7-5-6-8-17(14)23-21-25-19(24-20(22)26-21)13-28-16-11-9-15(10-12-16)18(27)4-2/h5-12H,3-4,13H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyNKBLNEQXJAKLCH-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.93
Rot. Bonds8

About 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one

1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one (PubChem CID 18079129) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one
PubChem CID18079129
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2nc(N)nc(Nc3ccccc3CC)n2)cc1
InChIInChI=1S/C21H23N5O2/c1-3-14-7-5-6-8-17(14)23-21-25-19(24-20(22)26-21)13-28-16-11-9-15(10-12-16)18(27)4-2/h5-12H,3-4,13H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyNKBLNEQXJAKLCH-UHFFFAOYSA-N
XLogP3.93
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one with MolForge

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Related Compounds

[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl cyclopropanecarboxylate
CID 7782044
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3,3-dimethylbutanoate
CID 7950853
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methoxyphenyl)acetate
CID 8792735
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate
CID 7982055
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 28568700
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 7953800
2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
6-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 55442994
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783790
2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine
CID 18206617
4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 18269725

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one (CID 18079129) is 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2nc(N)nc(Nc3ccccc3CC)n2)cc1.
What is the InChIKey of 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one?
The InChIKey is NKBLNEQXJAKLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-14-7-5-6-8-17(14)23-21-25-19(24-20(22)26-21)13-28-16-11-9-15(10-12-16)18(27)4-2/h5-12H,3-4,13H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one?
1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one has a molecular weight of 377.45 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one is sourced from PubChem (CID 18079129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).