6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

C23H22F3N3O2 — CID 66550097

IUPAC6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,28,29,30,31)
InChIKeyPRHJSEQMUSWYNO-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.51
Rot. Bonds4

About 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 66550097) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID66550097
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,28,29,30,31)
InChIKeyPRHJSEQMUSWYNO-UHFFFAOYSA-N
XLogP4.51
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (CID 66550097) is 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1.
What is the InChIKey of 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PRHJSEQMUSWYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,28,29,30,31).
What are the key properties of 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 429.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66550097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).