4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine

C17H23N5S — CID 10496614

IUPAC4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cc(C)c(Nc2nc(C)nc(N3CCSCC3)n2)c(C)c1
InChIInChI=1S/C17H23N5S/c1-11-9-12(2)15(13(3)10-11)20-16-18-14(4)19-17(21-16)22-5-7-23-8-6-22/h9-10H,5-8H2,1-4H3,(H,18,19,20,21)
InChIKeyFKXJQOQJSFFIBD-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.40
Rot. Bonds3

About 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine

4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine (PubChem CID 10496614) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
PubChem CID10496614
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cc(C)c(Nc2nc(C)nc(N3CCSCC3)n2)c(C)c1
InChIInChI=1S/C17H23N5S/c1-11-9-12(2)15(13(3)10-11)20-16-18-14(4)19-17(21-16)22-5-7-23-8-6-22/h9-10H,5-8H2,1-4H3,(H,18,19,20,21)
InChIKeyFKXJQOQJSFFIBD-UHFFFAOYSA-N
XLogP3.40
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine (CID 10496614) is 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine is Cc1cc(C)c(Nc2nc(C)nc(N3CCSCC3)n2)c(C)c1.
What is the InChIKey of 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is FKXJQOQJSFFIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-11-9-12(2)15(13(3)10-11)20-16-18-14(4)19-17(21-16)22-5-7-23-8-6-22/h9-10H,5-8H2,1-4H3,(H,18,19,20,21).
What are the key properties of 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine?
4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-thiomorpholin-4-yl-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 10496614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).