3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine

C17H21N7 — CID 67193205

IUPAC3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine
SMILESNC1=NC2(CC3CCC2CC3)CN1c1cc(-n2ccnc2)ncn1
InChIInChI=1S/C17H21N7/c18-16-22-17(8-12-1-3-13(17)4-2-12)9-24(16)15-7-14(20-10-21-15)23-6-5-19-11-23/h5-7,10-13H,1-4,8-9H2,(H2,18,22)
InChIKeyAIVMOTHITTULBE-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.75
Rot. Bonds2

About 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine

3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine (PubChem CID 67193205) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine
PubChem CID67193205
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine
SMILESNC1=NC2(CC3CCC2CC3)CN1c1cc(-n2ccnc2)ncn1
InChIInChI=1S/C17H21N7/c18-16-22-17(8-12-1-3-13(17)4-2-12)9-24(16)15-7-14(20-10-21-15)23-6-5-19-11-23/h5-7,10-13H,1-4,8-9H2,(H2,18,22)
InChIKeyAIVMOTHITTULBE-UHFFFAOYSA-N
XLogP1.75
TPSA85.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 139013403
4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
CID 165434530
1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile
CID 146106492
4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane
CID 91644181
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
4-imidazol-1-yl-6-propan-2-ylpyrimidine
CID 63811489
6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine
CID 95635195
N-cyclohexyl-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520214
4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine
CID 95825017
N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-6-imidazol-1-ylpyrimidin-4-amine
CID 97255600
1-[(2R)-2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 95825007
1-[2-[2-(6-imidazol-1-ylpyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 110257310

Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine (CID 67193205) is 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine is NC1=NC2(CC3CCC2CC3)CN1c1cc(-n2ccnc2)ncn1.
What is the InChIKey of 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine?
The InChIKey is AIVMOTHITTULBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c18-16-22-17(8-12-1-3-13(17)4-2-12)9-24(16)15-7-14(20-10-21-15)23-6-5-19-11-23/h5-7,10-13H,1-4,8-9H2,(H2,18,22).
What are the key properties of 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine?
3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine has a molecular weight of 323.40 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 67193205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).