3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

C13H12F3N5 — CID 139013403

IUPAC3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)C12CC1CN(c1cc(-n3ccnc3)ncn1)C2
InChIInChI=1S/C13H12F3N5/c14-13(15,16)12-4-9(12)5-21(6-12)11-3-10(18-7-19-11)20-2-1-17-8-20/h1-3,7-9H,4-6H2
InChIKeyIOVWHZKYYKUWBP-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.05
Rot. Bonds2

About 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 139013403) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID139013403
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)C12CC1CN(c1cc(-n3ccnc3)ncn1)C2
InChIInChI=1S/C13H12F3N5/c14-13(15,16)12-4-9(12)5-21(6-12)11-3-10(18-7-19-11)20-2-1-17-8-20/h1-3,7-9H,4-6H2
InChIKeyIOVWHZKYYKUWBP-UHFFFAOYSA-N
XLogP2.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile
CID 146106492
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
3-(6-imidazol-1-ylpyrimidin-4-yl)spiro[4H-imidazole-5,2'-bicyclo[2.2.2]octane]-2-amine
CID 67193205
4-imidazol-1-yl-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]pyrimidine
CID 138053450
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307
4-ethyl-1-(6-imidazol-1-ylpyrimidin-4-yl)-4-methylazepane
CID 91644181
4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
CID 165434530
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
CID 122161190
2-[6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-4-imidazol-1-yl-1,3-dihydropyrazol-3-ol;hydrochloride
CID 174586054
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 56700366
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942

Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 139013403) is 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is FC(F)(F)C12CC1CN(c1cc(-n3ccnc3)ncn1)C2.
What is the InChIKey of 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is IOVWHZKYYKUWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c14-13(15,16)12-4-9(12)5-21(6-12)11-3-10(18-7-19-11)20-2-1-17-8-20/h1-3,7-9H,4-6H2.
What are the key properties of 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 295.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imidazol-1-ylpyrimidin-4-yl)-1-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 139013403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).