(1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol

C6H10N4OS — CID 83084598

IUPAC(1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol
SMILESCSc1nc(N)nc([C@H](C)O)n1
InChIInChI=1S/C6H10N4OS/c1-3(11)4-8-5(7)10-6(9-4)12-2/h3,11H,1-2H3,(H2,7,8,9,10)/t3-/m0/s1
InChIKeyWXWFPQXHEKFXJZ-VKHMYHEASA-N
MW186.24 g/mol
LogP0.23
Rot. Bonds2

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

(1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol (PubChem CID 83084598) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol
PubChem CID83084598
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name(1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol
SMILESCSc1nc(N)nc([C@H](C)O)n1
InChIInChI=1S/C6H10N4OS/c1-3(11)4-8-5(7)10-6(9-4)12-2/h3,11H,1-2H3,(H2,7,8,9,10)/t3-/m0/s1
InChIKeyWXWFPQXHEKFXJZ-VKHMYHEASA-N
XLogP0.23
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol?
The IUPAC name of (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol (CID 83084598) is (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol?
The canonical SMILES for (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol is CSc1nc(N)nc([C@H](C)O)n1.
What is the InChIKey of (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol?
The InChIKey is WXWFPQXHEKFXJZ-VKHMYHEASA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3(11)4-8-5(7)10-6(9-4)12-2/h3,11H,1-2H3,(H2,7,8,9,10)/t3-/m0/s1.
What are the key properties of (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol?
(1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol has a molecular weight of 186.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethanol is sourced from PubChem (CID 83084598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).