[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C24H26N6O4 — CID 42903849

IUPAC[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1Nc1nc(N)nc(COC(=O)C2CC(=O)N(c3ccccc3OC)C2)n1
InChIInChI=1S/C24H26N6O4/c1-3-15-8-4-5-9-17(15)26-24-28-20(27-23(25)29-24)14-34-22(32)16-12-21(31)30(13-16)18-10-6-7-11-19(18)33-2/h4-11,16H,3,12-14H2,1-2H3,(H3,25,26,27,28,29)
InChIKeyKOVKMDWLFVLBLR-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.86
Rot. Bonds8

About [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 42903849) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID42903849
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1Nc1nc(N)nc(COC(=O)C2CC(=O)N(c3ccccc3OC)C2)n1
InChIInChI=1S/C24H26N6O4/c1-3-15-8-4-5-9-17(15)26-24-28-20(27-23(25)29-24)14-34-22(32)16-12-21(31)30(13-16)18-10-6-7-11-19(18)33-2/h4-11,16H,3,12-14H2,1-2H3,(H3,25,26,27,28,29)
InChIKeyKOVKMDWLFVLBLR-UHFFFAOYSA-N
XLogP2.86
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42921230
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7593891
(4-methylphenyl)methyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7543997
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methoxyphenyl)acetate
CID 8792735
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466422
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
[2-(2-ethoxyanilino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7546244
[2-(naphthalen-1-ylamino)-2-oxoethyl] (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7263881
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7544969

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 42903849) is [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccccc1Nc1nc(N)nc(COC(=O)C2CC(=O)N(c3ccccc3OC)C2)n1.
What is the InChIKey of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is KOVKMDWLFVLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-3-15-8-4-5-9-17(15)26-24-28-20(27-23(25)29-24)14-34-22(32)16-12-21(31)30(13-16)18-10-6-7-11-19(18)33-2/h4-11,16H,3,12-14H2,1-2H3,(H3,25,26,27,28,29).
What are the key properties of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 42903849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).