2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide

C11H18N6O2S — CID 2200130

IUPAC2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18N6O2S/c1-2-13-9-14-10(17-3-5-19-6-4-17)16-11(15-9)20-7-8(12)18/h2-7H2,1H3,(H2,12,18)(H,13,14,15,16)
InChIKeyNUPNULMXWODXKI-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.28
Rot. Bonds6

About 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide

2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 2200130) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID2200130
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18N6O2S/c1-2-13-9-14-10(17-3-5-19-6-4-17)16-11(15-9)20-7-8(12)18/h2-7H2,1H3,(H2,12,18)(H,13,14,15,16)
InChIKeyNUPNULMXWODXKI-UHFFFAOYSA-N
XLogP-0.28
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

Methyl 2-[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-ylthio]acetate
CID 654176
N-isopropyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 898987
Methyl {[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetate
CID 935078
N-isobutyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 935626
ethyl N-({[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetyl)glycinate
CID 2242390
(4-Ethylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-acetic acid methyl ester
CID 650609
2-{[4-(Isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 898986
2-(4-Ethylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-propionic acid methyl ester
CID 644949
N-methyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976523
2-{[4-(Ethylamino)-6-methoxy-1,3,5-triazin-2-yl]thio}acetamide
CID 2237411
4-Methylsulfanyl-6-(2-morpholin-4-ylethylsulfanyl)-1,3,5-triazin-2-amine
CID 44323467
Methyl {[4-(isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetate
CID 1251508

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 2200130) is 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is CCNc1nc(SCC(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is NUPNULMXWODXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-2-13-9-14-10(17-3-5-19-6-4-17)16-11(15-9)20-7-8(12)18/h2-7H2,1H3,(H2,12,18)(H,13,14,15,16).
What are the key properties of 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2200130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).