2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine

C18H24N6S — CID 1326706

IUPAC2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine
SMILESc1ccc(Sc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc1
InChIInChI=1S/C18H24N6S/c1-5-11-23(12-6-1)16-20-17(24-13-7-2-8-14-24)22-18(21-16)25-15-9-3-4-10-19-15/h3-4,9-10H,1-2,5-8,11-14H2
InChIKeyPLIDCZUMSWMJIX-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.40
Rot. Bonds4

About 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine

2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine (PubChem CID 1326706) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine
PubChem CID1326706
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine
SMILESc1ccc(Sc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc1
InChIInChI=1S/C18H24N6S/c1-5-11-23(12-6-1)16-20-17(24-13-7-2-8-14-24)22-18(21-16)25-15-9-3-4-10-19-15/h3-4,9-10H,1-2,5-8,11-14H2
InChIKeyPLIDCZUMSWMJIX-UHFFFAOYSA-N
XLogP3.40
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Pyridin-2-ylsulfanylpyrimidine
CID 100517
Tris(pyridin-2-ylsulfanyl)-1,3,5-triazine
CID 23626708
1-Pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine
CID 57205712
N,N-dimethyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 1253709
2-Pyridin-4-ylsulfanylpyrimidine
CID 118723746
4,6-Dimorpholino-1,3,5-triazin-2-yl (2-pyridyl) sulfide
CID 1503452
2,4-Bis(aziridin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine
CID 44425363
4-(4-Pyridin-2-ylsulfanyl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)thiomorpholine
CID 44425364
10-[4-(4-Methylpiperazin-1-yl)but-2-ynyl]-1,6-diazaphenothiazine
CID 129886014
10-(2'-Diethylaminoethyl)-1,6-diazaphenothiazine
CID 129886042
10-(2'-Pyrimidyl)-3,6-diazaphenothiazine
CID 145951901
4-Methyl-6-(pyridin-2-ylsulfanyl)pyrimidin-2-amine
CID 612506

Frequently Asked Questions

What is the IUPAC name of 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine?
The IUPAC name of 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine (CID 1326706) is 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine is c1ccc(Sc2nc(N3CCCCC3)nc(N3CCCCC3)n2)nc1.
What is the InChIKey of 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine?
The InChIKey is PLIDCZUMSWMJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-5-11-23(12-6-1)16-20-17(24-13-7-2-8-14-24)22-18(21-16)25-15-9-3-4-10-19-15/h3-4,9-10H,1-2,5-8,11-14H2.
What are the key properties of 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine?
2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine has a molecular weight of 356.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(piperidin-1-yl)-6-pyridin-2-ylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 1326706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).