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

C17H24N6OS — CID 1087029

IUPAC2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCN(C)c1nc(NC(C)(C)C)nc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H24N6OS/c1-17(2,3)22-14-19-15(23(4)5)21-16(20-14)25-11-13(24)18-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,18,24)(H,19,20,21,22)
InChIKeyAZUYKFQXIIYHTE-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.88
Rot. Bonds6

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

2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 1087029) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID1087029
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCN(C)c1nc(NC(C)(C)C)nc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C17H24N6OS/c1-17(2,3)22-14-19-15(23(4)5)21-16(20-14)25-11-13(24)18-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,18,24)(H,19,20,21,22)
InChIKeyAZUYKFQXIIYHTE-UHFFFAOYSA-N
XLogP2.88
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-ylsulfanyl)-acetamide
CID 1916401
2-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2242295
2-[[4-(dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylpropanamide
CID 3155205
2-[6-(dimethylamino)-4-(ethylamino)(1,3,5-triazin-2-ylthio)]-N-phenylpropanami de
CID 3155206
2-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylacetamide
CID 1002154
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 1091695
2-{[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
CID 1252650
2-{[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 1252702
2-{[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2236683
2-{[4,6-Bis(diethylamino)-1,3,5-triazin-2-YL]sulfanyl}ethyl N-phenylcarbamate
CID 2885878
2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]thio}-3-oxo-N-phenylbutanamide
CID 2946449
2-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylpropanamide
CID 2949756

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (CID 1087029) is 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is CN(C)c1nc(NC(C)(C)C)nc(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is AZUYKFQXIIYHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-17(2,3)22-14-19-15(23(4)5)21-16(20-14)25-11-13(24)18-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,18,24)(H,19,20,21,22).
What are the key properties of 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 360.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1087029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).