6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C20H20F4N6 — CID 89445410

IUPAC6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2cc(N)ncn2)CC1
InChIInChI=1S/C20H20F4N6/c1-29-10-16(13-2-3-15(21)14(8-13)20(22,23)24)28-19(29)12-4-6-30(7-5-12)18-9-17(25)26-11-27-18/h2-3,8-12H,4-7H2,1H3,(H2,25,26,27)
InChIKeyBKKVTBLCSODBLG-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.00
Rot. Bonds3

About 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 89445410) has the molecular formula C20H20F4N6 and a molecular weight of 420.41 g/mol. Its IUPAC name is 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID89445410
Molecular FormulaC20H20F4N6
Molecular Weight420.41 g/mol
Exact Mass420.17
IUPAC Name6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2cc(N)ncn2)CC1
InChIInChI=1S/C20H20F4N6/c1-29-10-16(13-2-3-15(21)14(8-13)20(22,23)24)28-19(29)12-4-6-30(7-5-12)18-9-17(25)26-11-27-18/h2-3,8-12H,4-7H2,1H3,(H2,25,26,27)
InChIKeyBKKVTBLCSODBLG-UHFFFAOYSA-N
XLogP4.00
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 89445410) is 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2cc(N)ncn2)CC1.
What is the InChIKey of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is BKKVTBLCSODBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N6/c1-29-10-16(13-2-3-15(21)14(8-13)20(22,23)24)28-19(29)12-4-6-30(7-5-12)18-9-17(25)26-11-27-18/h2-3,8-12H,4-7H2,1H3,(H2,25,26,27).
What are the key properties of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 420.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89445410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).