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

C20H21N5O3 — CID 7754352

IUPAC[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C20H21N5O3/c1-13-6-5-8-15(10-13)27-12-18(26)28-11-17-23-19(21)25-20(24-17)22-16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyXPIFUYUGPXYWTG-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.94
Rot. Bonds7

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

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate (PubChem CID 7754352) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
PubChem CID7754352
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1
InChIInChI=1S/C20H21N5O3/c1-13-6-5-8-15(10-13)27-12-18(26)28-11-17-23-19(21)25-20(24-17)22-16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyXPIFUYUGPXYWTG-UHFFFAOYSA-N
XLogP2.94
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 25462028
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(2,3-dimethylphenoxy)acetate
CID 7982055
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-but-2-enoate
CID 7663688
(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 3-fluorobenzoate
CID 2523878
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7669424
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-aminopyrazine-2-carboxylate
CID 7274834
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 7593564
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55484811
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 7631130
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenoxyacetate
CID 9416576
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681534

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate?
The IUPAC name of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate (CID 7754352) is [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate?
The canonical SMILES for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c1.
What is the InChIKey of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate?
The InChIKey is XPIFUYUGPXYWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-6-5-8-15(10-13)27-12-18(26)28-11-17-23-19(21)25-20(24-17)22-16-9-4-3-7-14(16)2/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate?
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate has a molecular weight of 379.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 7754352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).