4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C13H16ClN5O — CID 790434

IUPAC4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCc2ccco2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H16ClN5O/c14-11-16-12(15-9-10-5-4-8-20-10)18-13(17-11)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2,(H,15,16,17,18)
InChIKeyOXZOBPDTKHWPGM-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.72
Rot. Bonds4

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

4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 790434) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID790434
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCc2ccco2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H16ClN5O/c14-11-16-12(15-9-10-5-4-8-20-10)18-13(17-11)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2,(H,15,16,17,18)
InChIKeyOXZOBPDTKHWPGM-UHFFFAOYSA-N
XLogP2.72
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 790434) is 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(NCc2ccco2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OXZOBPDTKHWPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-11-16-12(15-9-10-5-4-8-20-10)18-13(17-11)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 293.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 790434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).