4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine

C13H19ClN4O3 — CID 62869428

IUPAC4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(OCC2CCCCO2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19ClN4O3/c14-11-15-12(18-4-7-19-8-5-18)17-13(16-11)21-9-10-3-1-2-6-20-10/h10H,1-9H2
InChIKeyLYWVLSGDZKZIJI-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.31
Rot. Bonds4

About 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 62869428) has the molecular formula C13H19ClN4O3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID62869428
Molecular FormulaC13H19ClN4O3
Molecular Weight314.77 g/mol
Exact Mass314.11
IUPAC Name4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(OCC2CCCCO2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19ClN4O3/c14-11-15-12(18-4-7-19-8-5-18)17-13(16-11)21-9-10-3-1-2-6-20-10/h10H,1-9H2
InChIKeyLYWVLSGDZKZIJI-UHFFFAOYSA-N
XLogP1.31
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-(oxan-2-ylmethoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62868914
4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869816
2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62869308
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
CID 62869818
4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine
CID 115942025
4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
CID 63685639
4-[4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-yl]morpholine
CID 62870302
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
4-[2-chloro-9-[2-(oxan-2-yl)ethyl]purin-6-yl]morpholine
CID 141233569
4-[4-chloro-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 62869868
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
5-chloro-6-methyl-7-(oxan-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075870

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine (CID 62869428) is 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine is Clc1nc(OCC2CCCCO2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is LYWVLSGDZKZIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O3/c14-11-15-12(18-4-7-19-8-5-18)17-13(16-11)21-9-10-3-1-2-6-20-10/h10H,1-9H2.
What are the key properties of 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 314.77 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 62869428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).