N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C16H20N8 — CID 72709675

IUPACN-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESc1cn(-c2cc(NC3=NCC4(CN5CCC4CC5)N3)ncn2)cn1
InChIInChI=1S/C16H20N8/c1-4-23-5-2-12(1)16(9-23)8-18-15(22-16)21-13-7-14(20-10-19-13)24-6-3-17-11-24/h3,6-7,10-12H,1-2,4-5,8-9H2,(H2,18,19,20,21,22)
InChIKeyPYNFQASCQZJOPB-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.50
Rot. Bonds2

About N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 72709675) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound NameN-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID72709675
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC NameN-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESc1cn(-c2cc(NC3=NCC4(CN5CCC4CC5)N3)ncn2)cn1
InChIInChI=1S/C16H20N8/c1-4-23-5-2-12(1)16(9-23)8-18-15(22-16)21-13-7-14(20-10-19-13)24-6-3-17-11-24/h3,6-7,10-12H,1-2,4-5,8-9H2,(H2,18,19,20,21,22)
InChIKeyPYNFQASCQZJOPB-UHFFFAOYSA-N
XLogP0.50
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 72709675) is N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is c1cn(-c2cc(NC3=NCC4(CN5CCC4CC5)N3)ncn2)cn1.
What is the InChIKey of N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is PYNFQASCQZJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-4-23-5-2-12(1)16(9-23)8-18-15(22-16)21-13-7-14(20-10-19-13)24-6-3-17-11-24/h3,6-7,10-12H,1-2,4-5,8-9H2,(H2,18,19,20,21,22).
What are the key properties of N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 324.39 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-ylpyrimidin-4-yl)spiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 72709675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).