11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C16H26N4O — CID 131655620

IUPAC11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCN1CCOCC2(CCCN(c3ncc(C)cn3)C2)C1
InChIInChI=1S/C16H26N4O/c1-3-19-7-8-21-13-16(11-19)5-4-6-20(12-16)15-17-9-14(2)10-18-15/h9-10H,3-8,11-13H2,1-2H3
InChIKeyAERCGQGONHWSNW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds2

About 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 131655620) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID131655620
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCN1CCOCC2(CCCN(c3ncc(C)cn3)C2)C1
InChIInChI=1S/C16H26N4O/c1-3-19-7-8-21-13-16(11-19)5-4-6-20(12-16)15-17-9-14(2)10-18-15/h9-10H,3-8,11-13H2,1-2H3
InChIKeyAERCGQGONHWSNW-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 131655620) is 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is CCN1CCOCC2(CCCN(c3ncc(C)cn3)C2)C1.
What is the InChIKey of 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is AERCGQGONHWSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-19-7-8-21-13-16(11-19)5-4-6-20(12-16)15-17-9-14(2)10-18-15/h9-10H,3-8,11-13H2,1-2H3.
What are the key properties of 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 290.41 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131655620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).