4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine

C13H23N5O2 — CID 11349247

IUPAC4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCCN2CCCCC2)nc(OC)n1
InChIInChI=1S/C13H23N5O2/c1-19-12-15-11(16-13(17-12)20-2)14-7-6-10-18-8-4-3-5-9-18/h3-10H2,1-2H3,(H,14,15,16,17)
InChIKeyDBIIRTHHMDCLNS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.18
Rot. Bonds7

About 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine (PubChem CID 11349247) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
PubChem CID11349247
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCCN2CCCCC2)nc(OC)n1
InChIInChI=1S/C13H23N5O2/c1-19-12-15-11(16-13(17-12)20-2)14-7-6-10-18-8-4-3-5-9-18/h3-10H2,1-2H3,(H,14,15,16,17)
InChIKeyDBIIRTHHMDCLNS-UHFFFAOYSA-N
XLogP1.18
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine (CID 11349247) is 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine is COc1nc(NCCCN2CCCCC2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is DBIIRTHHMDCLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-19-12-15-11(16-13(17-12)20-2)14-7-6-10-18-8-4-3-5-9-18/h3-10H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 11349247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).