4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine

C13H21N5S — CID 106446147

IUPAC4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine
SMILESCN1CCSCC1c1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C13H21N5S/c1-18-6-7-19-8-10(18)12-15-11(16-13(14)17-12)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyLKDYGSPSMHUYDG-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.83
Rot. Bonds2

About 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine

4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine (PubChem CID 106446147) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine
PubChem CID106446147
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine
SMILESCN1CCSCC1c1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C13H21N5S/c1-18-6-7-19-8-10(18)12-15-11(16-13(14)17-12)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyLKDYGSPSMHUYDG-UHFFFAOYSA-N
XLogP1.83
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine (CID 106446147) is 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine is CN1CCSCC1c1nc(N)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is LKDYGSPSMHUYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-18-6-7-19-8-10(18)12-15-11(16-13(14)17-12)9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 279.41 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106446147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).