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

C15H24N6O4 — CID 1040481

IUPACethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O4/c1-2-25-12(22)11-16-13-17-14(20-3-7-23-8-4-20)19-15(18-13)21-5-9-24-10-6-21/h2-11H2,1H3,(H,16,17,18,19)
InChIKeyIDQKGOWDTIIVJQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP-0.48
Rot. Bonds6

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

ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate (PubChem CID 1040481) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
PubChem CID1040481
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC Nameethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O4/c1-2-25-12(22)11-16-13-17-14(20-3-7-23-8-4-20)19-15(18-13)21-5-9-24-10-6-21/h2-11H2,1H3,(H,16,17,18,19)
InChIKeyIDQKGOWDTIIVJQ-UHFFFAOYSA-N
XLogP-0.48
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
ethyl N-[4-(cyanomethoxy)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]glycinate
CID 3237040
Ethyl 2-[(4-cyano-6-morpholino-1,3,5-triazin-2-yl)amino]acetate
CID 712287
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
Ethyl 2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 948154
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 {[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino}acetate
CID 712293
Ethyl 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetate
CID 1543867
N-(2-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 2019642
(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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate (CID 1040481) is ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate is CCOC(=O)CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The InChIKey is IDQKGOWDTIIVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O4/c1-2-25-12(22)11-16-13-17-14(20-3-7-23-8-4-20)19-15(18-13)21-5-9-24-10-6-21/h2-11H2,1H3,(H,16,17,18,19).
What are the key properties of ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate has a molecular weight of 352.40 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate is sourced from PubChem (CID 1040481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).