4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine

C20H27N7O3 — CID 58507795

IUPAC4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
SMILESc1cc(N2CCOCC2)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H27N7O3/c1-2-17(25-3-9-28-10-4-25)21-15-16(1)18-22-19(26-5-11-29-12-6-26)24-20(23-18)27-7-13-30-14-8-27/h1-2,15H,3-14H2
InChIKeyUFZSTQJLKOUHBM-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.44
Rot. Bonds4

About 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine

4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine (PubChem CID 58507795) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
PubChem CID58507795
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC Name4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
SMILESc1cc(N2CCOCC2)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H27N7O3/c1-2-17(25-3-9-28-10-4-25)21-15-16(1)18-22-19(26-5-11-29-12-6-26)24-20(23-18)27-7-13-30-14-8-27/h1-2,15H,3-14H2
InChIKeyUFZSTQJLKOUHBM-UHFFFAOYSA-N
XLogP0.44
TPSA88.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine (CID 58507795) is 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine is c1cc(N2CCOCC2)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine?
The InChIKey is UFZSTQJLKOUHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c1-2-17(25-3-9-28-10-4-25)21-15-16(1)18-22-19(26-5-11-29-12-6-26)24-20(23-18)27-7-13-30-14-8-27/h1-2,15H,3-14H2.
What are the key properties of 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine?
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine has a molecular weight of 413.48 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 58507795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).