3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane

C15H23N3O3 — CID 102930455

IUPAC3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCOc1ncnc(OC2COC3(CCNCC3)C2)c1C
InChIInChI=1S/C15H23N3O3/c1-3-19-13-11(2)14(18-10-17-13)21-12-8-15(20-9-12)4-6-16-7-5-15/h10,12,16H,3-9H2,1-2H3
InChIKeyYJUGAOSNTZICET-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.47
Rot. Bonds4

About 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane

3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930455) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930455
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
SMILESCCOc1ncnc(OC2COC3(CCNCC3)C2)c1C
InChIInChI=1S/C15H23N3O3/c1-3-19-13-11(2)14(18-10-17-13)21-12-8-15(20-9-12)4-6-16-7-5-15/h10,12,16H,3-9H2,1-2H3
InChIKeyYJUGAOSNTZICET-UHFFFAOYSA-N
XLogP1.47
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
3-(6-propylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930624
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930435
5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile
CID 102930669
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420064
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carboxamide
CID 102930554
3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930637

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane (CID 102930455) is 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane is CCOc1ncnc(OC2COC3(CCNCC3)C2)c1C.
What is the InChIKey of 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YJUGAOSNTZICET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-19-13-11(2)14(18-10-17-13)21-12-8-15(20-9-12)4-6-16-7-5-15/h10,12,16H,3-9H2,1-2H3.
What are the key properties of 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 293.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).