9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane

C14H21N3O2 — CID 86795919

IUPAC9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCOc1cc(N2CCOC3(CCCC3)C2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-18-13-9-12(15-11-16-13)17-7-8-19-14(10-17)5-3-4-6-14/h9,11H,2-8,10H2,1H3
InChIKeyWQOSEMPLQOFJIK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds3

About 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane

9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 86795919) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID86795919
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCOc1cc(N2CCOC3(CCCC3)C2)ncn1
InChIInChI=1S/C14H21N3O2/c1-2-18-13-9-12(15-11-16-13)17-7-8-19-14(10-17)5-3-4-6-14/h9,11H,2-8,10H2,1H3
InChIKeyWQOSEMPLQOFJIK-UHFFFAOYSA-N
XLogP2.02
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane (CID 86795919) is 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane is CCOc1cc(N2CCOC3(CCCC3)C2)ncn1.
What is the InChIKey of 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is WQOSEMPLQOFJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-18-13-9-12(15-11-16-13)17-7-8-19-14(10-17)5-3-4-6-14/h9,11H,2-8,10H2,1H3.
What are the key properties of 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 263.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-ethoxypyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 86795919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).