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

C15H24N6O4S — CID 2242390

IUPACethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O4S/c1-4-25-12(23)9-16-11(22)10-26-15-18-13(20(2)3)17-14(19-15)21-5-7-24-8-6-21/h4-10H2,1-3H3,(H,16,22)
InChIKeyUGKRUBFUHSINEV-UHFFFAOYSA-N
MW384.46 g/mol
LogP-0.45
Rot. Bonds8

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

ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate (PubChem CID 2242390) has the molecular formula C15H24N6O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate
PubChem CID2242390
Molecular FormulaC15H24N6O4S
Molecular Weight384.46 g/mol
Exact Mass384.16
IUPAC Nameethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C15H24N6O4S/c1-4-25-12(23)9-16-11(22)10-26-15-18-13(20(2)3)17-14(19-15)21-5-7-24-8-6-21/h4-10H2,1-3H3,(H,16,22)
InChIKeyUGKRUBFUHSINEV-UHFFFAOYSA-N
XLogP-0.45
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate (CID 2242390) is ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nc(N(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate?
The InChIKey is UGKRUBFUHSINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O4S/c1-4-25-12(23)9-16-11(22)10-26-15-18-13(20(2)3)17-14(19-15)21-5-7-24-8-6-21/h4-10H2,1-3H3,(H,16,22).
What are the key properties of ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate?
ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate has a molecular weight of 384.46 g/mol, XLogP of -0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetyl]amino]acetate is sourced from PubChem (CID 2242390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).