3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane

C13H19N3O2 — CID 102930447

IUPAC3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nccc(OC2COC3(CCNCC3)C2)n1
InChIInChI=1S/C13H19N3O2/c1-10-15-5-2-12(16-10)18-11-8-13(17-9-11)3-6-14-7-4-13/h2,5,11,14H,3-4,6-9H2,1H3
InChIKeyDRYIRNAGDPUBFA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.07
Rot. Bonds2

About 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane

3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930447) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930447
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
SMILESCc1nccc(OC2COC3(CCNCC3)C2)n1
InChIInChI=1S/C13H19N3O2/c1-10-15-5-2-12(16-10)18-11-8-13(17-9-11)3-6-14-7-4-13/h2,5,11,14H,3-4,6-9H2,1H3
InChIKeyDRYIRNAGDPUBFA-UHFFFAOYSA-N
XLogP1.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447536
4-Ethoxy-2-(4-propan-2-yloxolan-3-yl)oxypyrimidine
CID 58044657
4-(Piperidin-4-yloxy)pyrimidine
CID 62342450
4-(Piperidin-4-ylmethoxy)pyrimidine
CID 62348539
N-(4-methylcyclohexyl)-4-(oxetan-3-yloxy)pyrimidin-2-amine
CID 66996277
N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
CID 66996334
N-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
CID 66996335
6-Pyrimidin-4-yloxy-3-azabicyclo[3.3.1]nonane
CID 69988158
N-methyl-4-piperidin-4-yloxypyrimidin-2-amine
CID 89881815
4-(4-Propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 134394880
2-Methoxy-4-piperidin-4-yloxypyrimidine;hydrochloride
CID 141148252
N-methyl-4-piperidin-4-yloxypyrimidin-2-amine;propane
CID 143899666

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane (CID 102930447) is 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane is Cc1nccc(OC2COC3(CCNCC3)C2)n1.
What is the InChIKey of 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is DRYIRNAGDPUBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-15-5-2-12(16-10)18-11-8-13(17-9-11)3-6-14-7-4-13/h2,5,11,14H,3-4,6-9H2,1H3.
What are the key properties of 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane?
3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 249.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).