2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione

C11H17N5O2S — CID 977254

IUPAC2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione
SMILESS=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C11H17N5O2S/c19-11-13-9(15-1-5-17-6-2-15)12-10(14-11)16-3-7-18-8-4-16/h1-8H2,(H,12,13,14,19)
InChIKeyUABCJKPCNYMEPU-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.21
Rot. Bonds2

About 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione

2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione (PubChem CID 977254) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione
PubChem CID977254
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione
SMILESS=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1
InChIInChI=1S/C11H17N5O2S/c19-11-13-9(15-1-5-17-6-2-15)12-10(14-11)16-3-7-18-8-4-16/h1-8H2,(H,12,13,14,19)
InChIKeyUABCJKPCNYMEPU-UHFFFAOYSA-N
XLogP0.21
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione (CID 977254) is 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione is S=c1nc(N2CCOCC2)[nH]c(N2CCOCC2)n1.
What is the InChIKey of 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione?
The InChIKey is UABCJKPCNYMEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c19-11-13-9(15-1-5-17-6-2-15)12-10(14-11)16-3-7-18-8-4-16/h1-8H2,(H,12,13,14,19).
What are the key properties of 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione?
2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione has a molecular weight of 283.36 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 977254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).