6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine

C24H22F4N8 — CID 89450695

IUPAC6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cncnc2)CC1
InChIInChI=1S/C24H22F4N8/c1-35-11-19(15-2-3-18(25)17(8-15)24(26,27)28)34-22(35)14-4-6-36(7-5-14)23-20(21(29)32-13-33-23)16-9-30-12-31-10-16/h2-3,8-14H,4-7H2,1H3,(H2,29,32,33)
InChIKeyQABWGDMMZLJSRS-UHFFFAOYSA-N
MW498.49 g/mol
LogP4.46
Rot. Bonds4

About 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine

6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine (PubChem CID 89450695) has the molecular formula C24H22F4N8 and a molecular weight of 498.49 g/mol. Its IUPAC name is 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine
PubChem CID89450695
Molecular FormulaC24H22F4N8
Molecular Weight498.49 g/mol
Exact Mass498.19
IUPAC Name6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine
SMILESCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cncnc2)CC1
InChIInChI=1S/C24H22F4N8/c1-35-11-19(15-2-3-18(25)17(8-15)24(26,27)28)34-22(35)14-4-6-36(7-5-14)23-20(21(29)32-13-33-23)16-9-30-12-31-10-16/h2-3,8-14H,4-7H2,1H3,(H2,29,32,33)
InChIKeyQABWGDMMZLJSRS-UHFFFAOYSA-N
XLogP4.46
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-5-pyrimidin-5-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine (CID 89450695) is 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine is Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cncnc2)CC1.
What is the InChIKey of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine?
The InChIKey is QABWGDMMZLJSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N8/c1-35-11-19(15-2-3-18(25)17(8-15)24(26,27)28)34-22(35)14-4-6-36(7-5-14)23-20(21(29)32-13-33-23)16-9-30-12-31-10-16/h2-3,8-14H,4-7H2,1H3,(H2,29,32,33).
What are the key properties of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine?
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-pyrimidin-5-ylpyrimidin-4-amine has a molecular weight of 498.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]-5-pyrimidin-5-ylpyrimidin-4-amine is sourced from PubChem (CID 89450695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).