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

C19H26N6O2S — CID 1091695

IUPAC2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H26N6O2S/c1-19(2,3)24-16-21-17(25-9-11-27-12-10-25)23-18(22-16)28-13-15(26)20-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,26)(H,21,22,23,24)
InChIKeyJMXXWVQWFFRNHR-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.65
Rot. Bonds6

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

2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 1091695) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID1091695
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H26N6O2S/c1-19(2,3)24-16-21-17(25-9-11-27-12-10-25)23-18(22-16)28-13-15(26)20-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,26)(H,21,22,23,24)
InChIKeyJMXXWVQWFFRNHR-UHFFFAOYSA-N
XLogP2.65
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.65
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]-N-phenylacetamide?
The IUPAC name of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (CID 1091695) is 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is CC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is JMXXWVQWFFRNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-19(2,3)24-16-21-17(25-9-11-27-12-10-25)23-18(22-16)28-13-15(26)20-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,26)(H,21,22,23,24).
What are the key properties of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 402.52 g/mol, XLogP of 2.65, 6 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]-N-phenylacetamide is sourced from PubChem (CID 1091695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).