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

C13H22N6O2S — CID 978096

IUPAC2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)Nc1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O2S/c1-13(2,3)18-10-15-11(19-4-6-21-7-5-19)17-12(16-10)22-8-9(14)20/h4-8H2,1-3H3,(H2,14,20)(H,15,16,17,18)
InChIKeyHMIOMQYWVJXFIB-UHFFFAOYSA-N
MW326.43 g/mol
LogP0.50
Rot. Bonds5

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

2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 978096) has the molecular formula C13H22N6O2S and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID978096
Molecular FormulaC13H22N6O2S
Molecular Weight326.43 g/mol
Exact Mass326.15
IUPAC Name2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)Nc1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O2S/c1-13(2,3)18-10-15-11(19-4-6-21-7-5-19)17-12(16-10)22-8-9(14)20/h4-8H2,1-3H3,(H2,14,20)(H,15,16,17,18)
InChIKeyHMIOMQYWVJXFIB-UHFFFAOYSA-N
XLogP0.50
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 978096) is 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is CC(C)(C)Nc1nc(SCC(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is HMIOMQYWVJXFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2S/c1-13(2,3)18-10-15-11(19-4-6-21-7-5-19)17-12(16-10)22-8-9(14)20/h4-8H2,1-3H3,(H2,14,20)(H,15,16,17,18).
What are the key properties of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 326.43 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 978096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).