2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

C14H20N4O — CID 97370141

IUPAC2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C14H20N4O/c1-2-17-9-4-14(12(17)19)5-10-18(11-6-14)13-15-7-3-8-16-13/h3,7-8H,2,4-6,9-11H2,1H3
InChIKeyOKDFEXILWLEFBB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.32
Rot. Bonds2

About 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370141) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370141
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCCN1CCC2(CCN(c3ncccn3)CC2)C1=O
InChIInChI=1S/C14H20N4O/c1-2-17-9-4-14(12(17)19)5-10-18(11-6-14)13-15-7-3-8-16-13/h3,7-8H,2,4-6,9-11H2,1H3
InChIKeyOKDFEXILWLEFBB-UHFFFAOYSA-N
XLogP1.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 97370141) is 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is CCN1CCC2(CCN(c3ncccn3)CC2)C1=O.
What is the InChIKey of 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is OKDFEXILWLEFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-17-9-4-14(12(17)19)5-10-18(11-6-14)13-15-7-3-8-16-13/h3,7-8H,2,4-6,9-11H2,1H3.
What are the key properties of 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?
2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).