4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C15H19N5S — CID 627279

IUPAC4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H19N5S/c16-14-17-13(11-21-12-7-3-1-4-8-12)18-15(19-14)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-11H2,(H2,16,17,18,19)
InChIKeyYQUSZFGBPBDZGL-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.74
Rot. Bonds4

About 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 627279) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID627279
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H19N5S/c16-14-17-13(11-21-12-7-3-1-4-8-12)18-15(19-14)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-11H2,(H2,16,17,18,19)
InChIKeyYQUSZFGBPBDZGL-UHFFFAOYSA-N
XLogP2.74
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 627279) is 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(CSc2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YQUSZFGBPBDZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c16-14-17-13(11-21-12-7-3-1-4-8-12)18-15(19-14)20-9-5-2-6-10-20/h1,3-4,7-8H,2,5-6,9-11H2,(H2,16,17,18,19).
What are the key properties of 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 301.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 627279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).