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

C19H24N6O3 — CID 46658615

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2CC(C(=O)OCc3nc(N)nc(N(C)C)n3)CC2=O)cc1
InChIInChI=1S/C19H24N6O3/c1-4-12-5-7-14(8-6-12)25-10-13(9-16(25)26)17(27)28-11-15-21-18(20)23-19(22-15)24(2)3/h5-8,13H,4,9-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyPPXWLNJJALWDAZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.18
Rot. Bonds6

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

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 46658615) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID46658615
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2CC(C(=O)OCc3nc(N)nc(N(C)C)n3)CC2=O)cc1
InChIInChI=1S/C19H24N6O3/c1-4-12-5-7-14(8-6-12)25-10-13(9-16(25)26)17(27)28-11-15-21-18(20)23-19(22-15)24(2)3/h5-8,13H,4,9-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyPPXWLNJJALWDAZ-UHFFFAOYSA-N
XLogP1.18
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

(4-nitrophenyl)methyl (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1096995
[2-(methylamino)-2-oxoethyl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524633
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7593891
[2-(4-methoxyphenyl)-2-oxoethyl] (3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 41137219
(4-ethylphenyl) (3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057558
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524656
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
(4-ethylphenyl) (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 1218876
1-[4-(dimethylamino)phenyl]-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189650
[2-(ethylcarbamoylamino)-2-oxoethyl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871489
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 5136461

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 46658615) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccc(N2CC(C(=O)OCc3nc(N)nc(N(C)C)n3)CC2=O)cc1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is PPXWLNJJALWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-4-12-5-7-14(8-6-12)25-10-13(9-16(25)26)17(27)28-11-15-21-18(20)23-19(22-15)24(2)3/h5-8,13H,4,9-11H2,1-3H3,(H2,20,21,22,23).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 46658615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).