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

C8H15N5OS — CID 43419441

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol
SMILESCN(C)c1nc(N)nc(CSCCO)n1
InChIInChI=1S/C8H15N5OS/c1-13(2)8-11-6(5-15-4-3-14)10-7(9)12-8/h14H,3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyFWZDCVIQFDBROT-UHFFFAOYSA-N
MW229.31 g/mol
LogP-0.25
Rot. Bonds5

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol (PubChem CID 43419441) has the molecular formula C8H15N5OS and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol
PubChem CID43419441
Molecular FormulaC8H15N5OS
Molecular Weight229.31 g/mol
Exact Mass229.10
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol
SMILESCN(C)c1nc(N)nc(CSCCO)n1
InChIInChI=1S/C8H15N5OS/c1-13(2)8-11-6(5-15-4-3-14)10-7(9)12-8/h14H,3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyFWZDCVIQFDBROT-UHFFFAOYSA-N
XLogP-0.25
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 5-0.25
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-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol (CID 43419441) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol is CN(C)c1nc(N)nc(CSCCO)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol?
The InChIKey is FWZDCVIQFDBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5OS/c1-13(2)8-11-6(5-15-4-3-14)10-7(9)12-8/h14H,3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol has a molecular weight of 229.31 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]ethanol is sourced from PubChem (CID 43419441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).