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

C6H11N5OS — CID 101402523

IUPAC2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol
SMILES[H]/N=c1\nc(N)nc(SC)n1CCO
InChIInChI=1S/C6H11N5OS/c1-13-6-10-4(7)9-5(8)11(6)2-3-12/h12H,2-3H2,1H3,(H3,7,8,9)
InChIKeyNWPNITNNVBSCLV-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.95
Rot. Bonds3

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

2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol (PubChem CID 101402523) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol
PubChem CID101402523
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC Name2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol
SMILES[H]/N=c1\nc(N)nc(SC)n1CCO
InChIInChI=1S/C6H11N5OS/c1-13-6-10-4(7)9-5(8)11(6)2-3-12/h12H,2-3H2,1H3,(H3,7,8,9)
InChIKeyNWPNITNNVBSCLV-UHFFFAOYSA-N
XLogP-0.95
TPSA100.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol?
The IUPAC name of 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol (CID 101402523) is 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol?
The canonical SMILES for 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol is [H]/N=c1\nc(N)nc(SC)n1CCO.
What is the InChIKey of 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol?
The InChIKey is NWPNITNNVBSCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS/c1-13-6-10-4(7)9-5(8)11(6)2-3-12/h12H,2-3H2,1H3,(H3,7,8,9).
What are the key properties of 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol?
2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol has a molecular weight of 201.25 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-imino-6-methylsulfanyl-1,3,5-triazin-1-yl)ethanol is sourced from PubChem (CID 101402523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).