3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane

C18H22N4O2 — CID 118746442

IUPAC3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(OCC2CC3(CCN(c4ncccn4)CC3)CO2)nc1
InChIInChI=1S/C18H22N4O2/c1-2-7-19-16(4-1)23-13-15-12-18(14-24-15)5-10-22(11-6-18)17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-14H2
InChIKeyGCNBFEPRUJGDNR-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.33
Rot. Bonds4

About 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane

3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 118746442) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane
PubChem CID118746442
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane
SMILESc1ccc(OCC2CC3(CCN(c4ncccn4)CC3)CO2)nc1
InChIInChI=1S/C18H22N4O2/c1-2-7-19-16(4-1)23-13-15-12-18(14-24-15)5-10-22(11-6-18)17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-14H2
InChIKeyGCNBFEPRUJGDNR-UHFFFAOYSA-N
XLogP2.33
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane (CID 118746442) is 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane is c1ccc(OCC2CC3(CCN(c4ncccn4)CC3)CO2)nc1.
What is the InChIKey of 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is GCNBFEPRUJGDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-7-19-16(4-1)23-13-15-12-18(14-24-15)5-10-22(11-6-18)17-20-8-3-9-21-17/h1-4,7-9,15H,5-6,10-14H2.
What are the key properties of 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane?
3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 326.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-yloxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118746442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).