1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol

C10H19N5OS — CID 154699887

IUPAC1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCSc1nc(NC(C)O)nc(NC(C)(C)C)n1
InChIInChI=1S/C10H19N5OS/c1-6(16)11-7-12-8(15-10(2,3)4)14-9(13-7)17-5/h6,16H,1-5H3,(H2,11,12,13,14,15)
InChIKeyPVGZWYYCGWPQRV-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.55
Rot. Bonds4

About 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol

1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 154699887) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID154699887
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCSc1nc(NC(C)O)nc(NC(C)(C)C)n1
InChIInChI=1S/C10H19N5OS/c1-6(16)11-7-12-8(15-10(2,3)4)14-9(13-7)17-5/h6,16H,1-5H3,(H2,11,12,13,14,15)
InChIKeyPVGZWYYCGWPQRV-UHFFFAOYSA-N
XLogP1.55
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol (CID 154699887) is 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol is CSc1nc(NC(C)O)nc(NC(C)(C)C)n1.
What is the InChIKey of 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is PVGZWYYCGWPQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-6(16)11-7-12-8(15-10(2,3)4)14-9(13-7)17-5/h6,16H,1-5H3,(H2,11,12,13,14,15).
What are the key properties of 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol?
1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 257.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 154699887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).