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

C13H17N5OS — CID 80893879

IUPAC4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SCc2ccco2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H17N5OS/c14-11-15-12(18-6-2-1-3-7-18)17-13(16-11)20-9-10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2,(H2,14,15,16,17)
InChIKeyXNQBVHYUNSDWSP-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.33
Rot. Bonds4

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

4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80893879) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80893879
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SCc2ccco2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H17N5OS/c14-11-15-12(18-6-2-1-3-7-18)17-13(16-11)20-9-10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2,(H2,14,15,16,17)
InChIKeyXNQBVHYUNSDWSP-UHFFFAOYSA-N
XLogP2.33
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872582
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893164
4-benzylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872274
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80884149
1-[4-(furan-2-ylmethylsulfanyl)phenyl]pyrrolidine
CID 168513833
2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 62867380
4-(furan-2-ylmethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844803
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928400
4-cyclohexylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80886210
2-N-(furan-2-ylmethyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 66507544

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80893879) is 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(SCc2ccco2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is XNQBVHYUNSDWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c14-11-15-12(18-6-2-1-3-7-18)17-13(16-11)20-9-10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2,(H2,14,15,16,17).
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80893879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).