ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate

C13H18N6O4 — CID 3237040

IUPACethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(OCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O4/c1-2-22-10(20)9-15-11-16-12(19-4-7-21-8-5-19)18-13(17-11)23-6-3-14/h2,4-9H2,1H3,(H,15,16,17,18)
InChIKeyUJKJHBWOKPLHQU-UHFFFAOYSA-N
MW322.33 g/mol
LogP-0.41
Rot. Bonds7

About ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate

ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 3237040) has the molecular formula C13H18N6O4 and a molecular weight of 322.33 g/mol. Its IUPAC name is ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate
PubChem CID3237040
Molecular FormulaC13H18N6O4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Nameethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(OCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C13H18N6O4/c1-2-22-10(20)9-15-11-16-12(19-4-7-21-8-5-19)18-13(17-11)23-6-3-14/h2,4-9H2,1H3,(H,15,16,17,18)
InChIKeyUJKJHBWOKPLHQU-UHFFFAOYSA-N
XLogP-0.41
TPSA122.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
Ethyl 2-[(4-cyano-6-morpholino-1,3,5-triazin-2-yl)amino]acetate
CID 712287
Ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 948154
{[4-(Ethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 1826754
Trimethyl 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]triacetate
CID 67194763
Ethyl ({4-[(2-ethoxy-2-oxoethyl)amino]-6-methoxy-1,3,5-triazin-2-yl}amino)acetate
CID 56696110
ethyl N-[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]glycinate
CID 712293
Ethyl {[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]amino}acetate
CID 1040481
Dipentyl 2,2'-{[6-(cyanomethoxy)-1,3,5-triazine-2,4-diyl]diimino}diacetate
CID 3472008
(4-Hydrazino-6-morpholin-4-yl-[1,3,5]triazin-2-ylamino)acetic acid, ethyl ester
CID 6426207
Glycine, N,N'-[6-(4-morpholinyl)-1,3,5-triazine-2,4-diyl]bis-
CID 1932600
Methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 67192559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate (CID 3237040) is ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(OCC#N)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is UJKJHBWOKPLHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O4/c1-2-22-10(20)9-15-11-16-12(19-4-7-21-8-5-19)18-13(17-11)23-6-3-14/h2,4-9H2,1H3,(H,15,16,17,18).
What are the key properties of ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 322.33 g/mol, XLogP of -0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(cyanomethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 3237040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).