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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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).