2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane

C13H20N4 — CID 102850610

IUPAC2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
SMILESc1cc(N2CCCC3(CCCNC3)C2)ncn1
InChIInChI=1S/C13H20N4/c1-4-13(9-14-6-1)5-2-8-17(10-13)12-3-7-15-11-16-12/h3,7,11,14H,1-2,4-6,8-10H2
InChIKeyJRXPHVLEFOTZEE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.45
Rot. Bonds1

About 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane

2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane (PubChem CID 102850610) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
PubChem CID102850610
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
SMILESc1cc(N2CCCC3(CCCNC3)C2)ncn1
InChIInChI=1S/C13H20N4/c1-4-13(9-14-6-1)5-2-8-17(10-13)12-3-7-15-11-16-12/h3,7,11,14H,1-2,4-6,8-10H2
InChIKeyJRXPHVLEFOTZEE-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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Related Compounds

2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 56750395
(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 95203740
2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
CID 102850615
2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850634
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
9-pyridin-2-yl-2,9-diazaspiro[5.5]undecane
CID 175764733
2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850496
methyl 6-(2,8-diazaspiro[5.5]undecan-2-yl)pyridazine-3-carboxylate
CID 102850684
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
2-(2,7-diazaspiro[4.5]decan-7-yl)-1,3-thiazole
CID 122559168
2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850535

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane (CID 102850610) is 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane is c1cc(N2CCCC3(CCCNC3)C2)ncn1.
What is the InChIKey of 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane?
The InChIKey is JRXPHVLEFOTZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-13(9-14-6-1)5-2-8-17(10-13)12-3-7-15-11-16-12/h3,7,11,14H,1-2,4-6,8-10H2.
What are the key properties of 2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane?
2-pyrimidin-4-yl-2,8-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-4-yl-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).