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

C11H20N6OS — CID 2234577

IUPAC2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCCCNc1nc(SCC(N)=O)nc(N(C)C)n1
InChIInChI=1S/C11H20N6OS/c1-4-5-6-13-9-14-10(17(2)3)16-11(15-9)19-7-8(12)18/h4-7H2,1-3H3,(H2,12,18)(H,13,14,15,16)
InChIKeyUMBIMDWBHHUXTK-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.73
Rot. Bonds8

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

2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 2234577) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID2234577
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCCCNc1nc(SCC(N)=O)nc(N(C)C)n1
InChIInChI=1S/C11H20N6OS/c1-4-5-6-13-9-14-10(17(2)3)16-11(15-9)19-7-8(12)18/h4-7H2,1-3H3,(H2,12,18)(H,13,14,15,16)
InChIKeyUMBIMDWBHHUXTK-UHFFFAOYSA-N
XLogP0.73
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 2234577) is 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CCCCNc1nc(SCC(N)=O)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is UMBIMDWBHHUXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-4-5-6-13-9-14-10(17(2)3)16-11(15-9)19-7-8(12)18/h4-7H2,1-3H3,(H2,12,18)(H,13,14,15,16).
What are the key properties of 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 284.39 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2234577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).