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

C22H34N6O3 — CID 645843

IUPACN-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H34N6O3/c1-2-3-4-5-8-28(18-19-7-6-13-31-19)22-24-20(26-9-14-29-15-10-26)23-21(25-22)27-11-16-30-17-12-27/h6-7,13H,2-5,8-12,14-18H2,1H3
InChIKeyQBWARFHZPUDMOG-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.72
Rot. Bonds10

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

N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 645843) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID645843
Molecular FormulaC22H34N6O3
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC NameN-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H34N6O3/c1-2-3-4-5-8-28(18-19-7-6-13-31-19)22-24-20(26-9-14-29-15-10-26)23-21(25-22)27-11-16-30-17-12-27/h6-7,13H,2-5,8-12,14-18H2,1H3
InChIKeyQBWARFHZPUDMOG-UHFFFAOYSA-N
XLogP2.72
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 645843) is N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is CCCCCCN(Cc1ccco1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is QBWARFHZPUDMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-2-3-4-5-8-28(18-19-7-6-13-31-19)22-24-20(26-9-14-29-15-10-26)23-21(25-22)27-11-16-30-17-12-27/h6-7,13H,2-5,8-12,14-18H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 430.55 g/mol, XLogP of 2.72, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 645843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).