[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate

C22H25N5O3 — CID 7982055

IUPAC[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate
SMILESCCc1ccccc1Nc1nc(N)nc(COC(=O)COc2cccc(C)c2C)n1
InChIInChI=1S/C22H25N5O3/c1-4-16-9-5-6-10-17(16)24-22-26-19(25-21(23)27-22)12-30-20(28)13-29-18-11-7-8-14(2)15(18)3/h5-11H,4,12-13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyURGICCHKFLEXNZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.50
Rot. Bonds8

About [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate

[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate (PubChem CID 7982055) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate
PubChem CID7982055
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate
SMILESCCc1ccccc1Nc1nc(N)nc(COC(=O)COc2cccc(C)c2C)n1
InChIInChI=1S/C22H25N5O3/c1-4-16-9-5-6-10-17(16)24-22-26-19(25-21(23)27-22)12-30-20(28)13-29-18-11-7-8-14(2)15(18)3/h5-11H,4,12-13H2,1-3H3,(H3,23,24,25,26,27)
InChIKeyURGICCHKFLEXNZ-UHFFFAOYSA-N
XLogP3.50
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate with MolForge

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Related Compounds

[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3,3-dimethylbutanoate
CID 7950853
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 7754352
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-naphthalen-1-ylacetate
CID 7889562
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(4-cyanophenoxy)acetate
CID 4847727
[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 cyclopropanecarboxylate
CID 7782044
[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
1-[4-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]propan-1-one
CID 18079129
2-N-(2-ethylphenyl)-6-[[(E)-(2-methylphenyl)methylideneamino]oxymethyl]-1,3,5-triazine-2,4-diamine
CID 18206617
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7669424
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenoxy)acetate
CID 7593801
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-but-2-enoate
CID 7663688

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate?
The IUPAC name of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate (CID 7982055) is [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate.
What is the SMILES notation for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate?
The canonical SMILES for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate is CCc1ccccc1Nc1nc(N)nc(COC(=O)COc2cccc(C)c2C)n1.
What is the InChIKey of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate?
The InChIKey is URGICCHKFLEXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-4-16-9-5-6-10-17(16)24-22-26-19(25-21(23)27-22)12-30-20(28)13-29-18-11-7-8-14(2)15(18)3/h5-11H,4,12-13H2,1-3H3,(H3,23,24,25,26,27).
What are the key properties of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate?
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate has a molecular weight of 407.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate is sourced from PubChem (CID 7982055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).