2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

C15H22N4O2 — CID 97449740

IUPAC2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C15H22N4O2/c1-21-12-11-18-8-3-15(13(18)20)4-9-19(10-5-15)14-16-6-2-7-17-14/h2,6-7H,3-5,8-12H2,1H3
InChIKeyUPOVEHIIILXQNH-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.94
Rot. Bonds4

About 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449740) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449740
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOCCN1CCC2(CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C15H22N4O2/c1-21-12-11-18-8-3-15(13(18)20)4-9-19(10-5-15)14-16-6-2-7-17-14/h2,6-7H,3-5,8-12H2,1H3
InChIKeyUPOVEHIIILXQNH-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 97449740) is 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is COCCN1CCC2(CCN(c3ncccn3)CC2)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UPOVEHIIILXQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-21-12-11-18-8-3-15(13(18)20)4-9-19(10-5-15)14-16-6-2-7-17-14/h2,6-7H,3-5,8-12H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 290.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).