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

C6H11N5OS — CID 43419443

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol
SMILESNc1nc(N)nc(CSCCO)n1
InChIInChI=1S/C6H11N5OS/c7-5-9-4(3-13-2-1-12)10-6(8)11-5/h12H,1-3H2,(H4,7,8,9,10,11)
InChIKeyGWWZCEFXGYEFFW-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.74
Rot. Bonds4

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol (PubChem CID 43419443) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol
PubChem CID43419443
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol
SMILESNc1nc(N)nc(CSCCO)n1
InChIInChI=1S/C6H11N5OS/c7-5-9-4(3-13-2-1-12)10-6(8)11-5/h12H,1-3H2,(H4,7,8,9,10,11)
InChIKeyGWWZCEFXGYEFFW-UHFFFAOYSA-N
XLogP-0.74
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
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-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol (CID 43419443) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol is Nc1nc(N)nc(CSCCO)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol?
The InChIKey is GWWZCEFXGYEFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS/c7-5-9-4(3-13-2-1-12)10-6(8)11-5/h12H,1-3H2,(H4,7,8,9,10,11).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol has a molecular weight of 201.25 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 43419443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).