4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine

C20H19BrF3N5 — CID 151366910

IUPAC4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine
SMILESFC(F)(F)c1ccc(-c2nc(Br)cn2-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C20H19BrF3N5/c21-16-12-29(18(27-16)13-6-8-14(9-7-13)20(22,23)24)17-10-11-25-19(28-17)26-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,25,26,28)
InChIKeyOPPWZFNDKJLVPH-UHFFFAOYSA-N
MW466.31 g/mol
LogP5.86
Rot. Bonds4

About 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine

4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine (PubChem CID 151366910) has the molecular formula C20H19BrF3N5 and a molecular weight of 466.31 g/mol. Its IUPAC name is 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine
PubChem CID151366910
Molecular FormulaC20H19BrF3N5
Molecular Weight466.31 g/mol
Exact Mass465.08
IUPAC Name4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine
SMILESFC(F)(F)c1ccc(-c2nc(Br)cn2-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C20H19BrF3N5/c21-16-12-29(18(27-16)13-6-8-14(9-7-13)20(22,23)24)17-10-11-25-19(28-17)26-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,25,26,28)
InChIKeyOPPWZFNDKJLVPH-UHFFFAOYSA-N
XLogP5.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.31
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cycloheptyl-4-[5-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206420
4-bromo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 172992944
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
4-(azepan-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112901579
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
N-cyclohexyl-4-[6-piperazin-1-yl-3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyridin-2-amine
CID 67088672
N-(4-methylcyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 46238981
1-[2-(cyclohexylamino)pyrimidin-4-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]benzimidazol-5-ol
CID 159404689
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine?
The IUPAC name of 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine (CID 151366910) is 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine?
The canonical SMILES for 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine is FC(F)(F)c1ccc(-c2nc(Br)cn2-c2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine?
The InChIKey is OPPWZFNDKJLVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF3N5/c21-16-12-29(18(27-16)13-6-8-14(9-7-13)20(22,23)24)17-10-11-25-19(28-17)26-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,25,26,28).
What are the key properties of 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine?
4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine has a molecular weight of 466.31 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]-N-cyclohexylpyrimidin-2-amine is sourced from PubChem (CID 151366910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).