4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine

C22H25F3N6 — CID 174518583

IUPAC4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2c(C(F)(F)F)nc(C3CCNCC3)n2C)n1)c1ccccc1
InChIInChI=1S/C22H25F3N6/c1-14(15-6-4-3-5-7-15)28-21-27-13-10-17(29-21)18-19(22(23,24)25)30-20(31(18)2)16-8-11-26-12-9-16/h3-7,10,13-14,16,26H,8-9,11-12H2,1-2H3,(H,27,28,29)
InChIKeyHFBYKGVPISYWNA-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.54
Rot. Bonds5

About 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine

4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 174518583) has the molecular formula C22H25F3N6 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID174518583
Molecular FormulaC22H25F3N6
Molecular Weight430.48 g/mol
Exact Mass430.21
IUPAC Name4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2c(C(F)(F)F)nc(C3CCNCC3)n2C)n1)c1ccccc1
InChIInChI=1S/C22H25F3N6/c1-14(15-6-4-3-5-7-15)28-21-27-13-10-17(29-21)18-19(22(23,24)25)30-20(31(18)2)16-8-11-26-12-9-16/h3-7,10,13-14,16,26H,8-9,11-12H2,1-2H3,(H,27,28,29)
InChIKeyHFBYKGVPISYWNA-UHFFFAOYSA-N
XLogP4.54
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propylimidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 10302214
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486140
benzyl 4-[1-methyl-5-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 10770417
4-[3-methyl-5-(3-methylphenyl)-2-piperidin-4-ylimidazol-4-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 100915242
4-(4-fluorophenyl)-1-methyl-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-2,2-di(piperidin-4-yl)pyrazol-2-ium-3-one
CID 23449901
4-[2-(4-fluorophenyl)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-4-yl]piperidine-1-carbaldehyde;4-[2-(4-fluorophenyl)-4-piperidin-4-ylimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 157303730
4-(4-fluorophenyl)-1,2-dimethyl-5-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrazol-3-one
CID 10309728
4-[5-(4-fluorophenyl)-3-(2-fluoropropan-2-yl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 162424582
4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;sulfane
CID 163562723
3-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 10281865
4-[5-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-3-propylimidazol-4-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine
CID 10143926
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine (CID 174518583) is 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine is CC(Nc1nccc(-c2c(C(F)(F)F)nc(C3CCNCC3)n2C)n1)c1ccccc1.
What is the InChIKey of 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is HFBYKGVPISYWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6/c1-14(15-6-4-3-5-7-15)28-21-27-13-10-17(29-21)18-19(22(23,24)25)30-20(31(18)2)16-8-11-26-12-9-16/h3-7,10,13-14,16,26H,8-9,11-12H2,1-2H3,(H,27,28,29).
What are the key properties of 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine?
4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 430.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-2-piperidin-4-yl-5-(trifluoromethyl)imidazol-4-yl]-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 174518583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).