1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane

C13H19ClN4 — CID 105370009

IUPAC1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESClc1cncnc1N1CCNCC12CCCCC2
InChIInChI=1S/C13H19ClN4/c14-11-8-16-10-17-12(11)18-7-6-15-9-13(18)4-2-1-3-5-13/h8,10,15H,1-7,9H2
InChIKeyZITVWGVKUDFNKG-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.24
Rot. Bonds1

About 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane

1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 105370009) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID105370009
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESClc1cncnc1N1CCNCC12CCCCC2
InChIInChI=1S/C13H19ClN4/c14-11-8-16-10-17-12(11)18-7-6-15-9-13(18)4-2-1-3-5-13/h8,10,15H,1-7,9H2
InChIKeyZITVWGVKUDFNKG-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane (CID 105370009) is 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane is Clc1cncnc1N1CCNCC12CCCCC2.
What is the InChIKey of 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZITVWGVKUDFNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-11-8-16-10-17-12(11)18-7-6-15-9-13(18)4-2-1-3-5-13/h8,10,15H,1-7,9H2.
What are the key properties of 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 266.78 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 105370009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).