N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C13H17ClN6 — CID 72709187

IUPACN-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESClc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1
InChIInChI=1S/C13H17ClN6/c14-10-5-15-11(16-6-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,15,16,17,18,19)
InChIKeyCTLJZHZMSDJOSW-UHFFFAOYSA-N
MW292.77 g/mol
LogP0.97
Rot. Bonds1

About N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 72709187) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID72709187
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC NameN-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESClc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1
InChIInChI=1S/C13H17ClN6/c14-10-5-15-11(16-6-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,15,16,17,18,19)
InChIKeyCTLJZHZMSDJOSW-UHFFFAOYSA-N
XLogP0.97
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 72709187) is N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is Clc1cnc(NC2=NCC3(CN4CCC3CC4)N2)nc1.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is CTLJZHZMSDJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c14-10-5-15-11(16-6-10)18-12-17-7-13(19-12)8-20-3-1-9(13)2-4-20/h5-6,9H,1-4,7-8H2,(H2,15,16,17,18,19).
What are the key properties of N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 292.77 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 72709187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).