3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane

C13H20N4O4 — CID 102930602

IUPAC3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1nc(OC)nc(OC2COC3(CCNCC3)C2)n1
InChIInChI=1S/C13H20N4O4/c1-18-10-15-11(19-2)17-12(16-10)21-9-7-13(20-8-9)3-5-14-6-4-13/h9,14H,3-8H2,1-2H3
InChIKeyGUFKVPUGGSOGPU-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.18
Rot. Bonds4

About 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane

3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930602) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930602
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCOc1nc(OC)nc(OC2COC3(CCNCC3)C2)n1
InChIInChI=1S/C13H20N4O4/c1-18-10-15-11(19-2)17-12(16-10)21-9-7-13(20-8-9)3-5-14-6-4-13/h9,14H,3-8H2,1-2H3
InChIKeyGUFKVPUGGSOGPU-UHFFFAOYSA-N
XLogP0.18
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930630

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930602) is 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane is COc1nc(OC)nc(OC2COC3(CCNCC3)C2)n1.
What is the InChIKey of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is GUFKVPUGGSOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-18-10-15-11(19-2)17-12(16-10)21-9-7-13(20-8-9)3-5-14-6-4-13/h9,14H,3-8H2,1-2H3.
What are the key properties of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 296.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).