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

C17H26N6O5S — CID 2957582

IUPACethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O5S/c1-2-28-14(25)11-18-13(24)12-29-17-20-15(22-3-7-26-8-4-22)19-16(21-17)23-5-9-27-10-6-23/h2-12H2,1H3,(H,18,24)
InChIKeyVCPZRLKVDUSNPS-UHFFFAOYSA-N
MW426.50 g/mol
LogP-0.68
Rot. Bonds8

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

ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate (PubChem CID 2957582) has the molecular formula C17H26N6O5S and a molecular weight of 426.50 g/mol. Its IUPAC name is ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate
PubChem CID2957582
Molecular FormulaC17H26N6O5S
Molecular Weight426.50 g/mol
Exact Mass426.17
IUPAC Nameethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H26N6O5S/c1-2-28-14(25)11-18-13(24)12-29-17-20-15(22-3-7-26-8-4-22)19-16(21-17)23-5-9-27-10-6-23/h2-12H2,1H3,(H,18,24)
InChIKeyVCPZRLKVDUSNPS-UHFFFAOYSA-N
XLogP-0.68
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Related Compounds

ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]acetate
CID 647473
ethyl 2-[[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 39841695
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 2983601
ethyl 2-[(4-cyano-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
CID 712287
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate
CID 101084273
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
ethyl 4-[2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
CID 42753898
N-(3,4-dichlorophenyl)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 1002158
ethyl 2-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetate
CID 5244583
methyl 2-[[1-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802381
ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20895441

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate (CID 2957582) is ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate?
The InChIKey is VCPZRLKVDUSNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O5S/c1-2-28-14(25)11-18-13(24)12-29-17-20-15(22-3-7-26-8-4-22)19-16(21-17)23-5-9-27-10-6-23/h2-12H2,1H3,(H,18,24).
What are the key properties of ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate?
ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate has a molecular weight of 426.50 g/mol, XLogP of -0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate is sourced from PubChem (CID 2957582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).