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

C17H22N6O2S — CID 1002154

IUPAC2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCN(C)c1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22N6O2S/c1-22(2)15-19-16(23-8-10-25-11-9-23)21-17(20-15)26-12-14(24)18-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,18,24)
InChIKeyXQXSKQFVEYLJAP-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.50
Rot. Bonds6

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

2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 1002154) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID1002154
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCN(C)c1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H22N6O2S/c1-22(2)15-19-16(23-8-10-25-11-9-23)21-17(20-15)26-12-14(24)18-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,18,24)
InChIKeyXQXSKQFVEYLJAP-UHFFFAOYSA-N
XLogP1.50
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (CID 1002154) is 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is CN(C)c1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is XQXSKQFVEYLJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-22(2)15-19-16(23-8-10-25-11-9-23)21-17(20-15)26-12-14(24)18-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,18,24).
What are the key properties of 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 374.47 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1002154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).