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

C20H27N7O3 — CID 67402294

IUPAC2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
SMILESc1cc(N2CCOCC2)ncc1-c1nc(C2CNCCO2)nc(C2CNCCO2)n1
InChIInChI=1S/C20H27N7O3/c1-2-17(27-5-9-28-10-6-27)23-11-14(1)18-24-19(15-12-21-3-7-29-15)26-20(25-18)16-13-22-4-8-30-16/h1-2,11,15-16,21-22H,3-10,12-13H2
InChIKeyIOQQFIRWAMOIMK-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.09
Rot. Bonds4

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

2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 67402294) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
PubChem CID67402294
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC Name2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine
SMILESc1cc(N2CCOCC2)ncc1-c1nc(C2CNCCO2)nc(C2CNCCO2)n1
InChIInChI=1S/C20H27N7O3/c1-2-17(27-5-9-28-10-6-27)23-11-14(1)18-24-19(15-12-21-3-7-29-15)26-20(25-18)16-13-22-4-8-30-16/h1-2,11,15-16,21-22H,3-10,12-13H2
InChIKeyIOQQFIRWAMOIMK-UHFFFAOYSA-N
XLogP0.09
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine (CID 67402294) is 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine is c1cc(N2CCOCC2)ncc1-c1nc(C2CNCCO2)nc(C2CNCCO2)n1.
What is the InChIKey of 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is IOQQFIRWAMOIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c1-2-17(27-5-9-28-10-6-27)23-11-14(1)18-24-19(15-12-21-3-7-29-15)26-20(25-18)16-13-22-4-8-30-16/h1-2,11,15-16,21-22H,3-10,12-13H2.
What are the key properties of 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine?
2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 413.48 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-morpholin-2-yl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 67402294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).