2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

C13H20N4 — CID 3234830

IUPAC2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCCC3(CCNCC3)C2)nc1
InChIInChI=1S/C13H20N4/c1-3-13(4-8-14-9-5-13)11-17(10-1)12-15-6-2-7-16-12/h2,6-7,14H,1,3-5,8-11H2
InChIKeyKYLZAOANKNRGIM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.45
Rot. Bonds1

About 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 3234830) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID3234830
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCCC3(CCNCC3)C2)nc1
InChIInChI=1S/C13H20N4/c1-3-13(4-8-14-9-5-13)11-17(10-1)12-15-6-2-7-16-12/h2,6-7,14H,1,3-5,8-11H2
InChIKeyKYLZAOANKNRGIM-UHFFFAOYSA-N
XLogP1.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (CID 3234830) is 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is c1cnc(N2CCCC3(CCNCC3)C2)nc1.
What is the InChIKey of 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is KYLZAOANKNRGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-13(4-8-14-9-5-13)11-17(10-1)12-15-6-2-7-16-12/h2,6-7,14H,1,3-5,8-11H2.
What are the key properties of 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 232.33 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3234830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).