3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol

C19H19N5O3 — CID 58508309

IUPAC3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol
SMILESOc1cccc(-c2nc(OCc3ccncc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H19N5O3/c25-16-3-1-2-15(12-16)17-21-18(24-8-10-26-11-9-24)23-19(22-17)27-13-14-4-6-20-7-5-14/h1-7,12,25H,8-11,13H2
InChIKeyDCDURGZZSPJEAI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.05
Rot. Bonds5

About 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol

3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol (PubChem CID 58508309) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol
PubChem CID58508309
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol
SMILESOc1cccc(-c2nc(OCc3ccncc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H19N5O3/c25-16-3-1-2-15(12-16)17-21-18(24-8-10-26-11-9-24)23-19(22-17)27-13-14-4-6-20-7-5-14/h1-7,12,25H,8-11,13H2
InChIKeyDCDURGZZSPJEAI-UHFFFAOYSA-N
XLogP2.05
TPSA93.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol (CID 58508309) is 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol is Oc1cccc(-c2nc(OCc3ccncc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol?
The InChIKey is DCDURGZZSPJEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-16-3-1-2-15(12-16)17-21-18(24-8-10-26-11-9-24)23-19(22-17)27-13-14-4-6-20-7-5-14/h1-7,12,25H,8-11,13H2.
What are the key properties of 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol?
3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol has a molecular weight of 365.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 58508309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).