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

C13H24N6OS — CID 898988

IUPAC2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCN(CC)c1nc(NC(C)(C)C)nc(SCC(N)=O)n1
InChIInChI=1S/C13H24N6OS/c1-6-19(7-2)11-15-10(18-13(3,4)5)16-12(17-11)21-8-9(14)20/h6-8H2,1-5H3,(H2,14,20)(H,15,16,17,18)
InChIKeyXSVDTWJQKLTGCP-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.51
Rot. Bonds7

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

2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 898988) has the molecular formula C13H24N6OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID898988
Molecular FormulaC13H24N6OS
Molecular Weight312.44 g/mol
Exact Mass312.17
IUPAC Name2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCN(CC)c1nc(NC(C)(C)C)nc(SCC(N)=O)n1
InChIInChI=1S/C13H24N6OS/c1-6-19(7-2)11-15-10(18-13(3,4)5)16-12(17-11)21-8-9(14)20/h6-8H2,1-5H3,(H2,14,20)(H,15,16,17,18)
InChIKeyXSVDTWJQKLTGCP-UHFFFAOYSA-N
XLogP1.51
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 898988) is 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CCN(CC)c1nc(NC(C)(C)C)nc(SCC(N)=O)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is XSVDTWJQKLTGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6OS/c1-6-19(7-2)11-15-10(18-13(3,4)5)16-12(17-11)21-8-9(14)20/h6-8H2,1-5H3,(H2,14,20)(H,15,16,17,18).
What are the key properties of 2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.51, 7 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-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 898988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).