5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one

C11H13F3N2O2 — CID 43829384

IUPAC5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)nc(O)c1C1CCCCC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10-15-8(17)7(9(18)16-10)6-4-2-1-3-5-6/h6H,1-5H2,(H2,15,16,17,18)
InChIKeyGSKJMBGMWUEBNR-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.54
Rot. Bonds1

About 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one

5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 43829384) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID43829384
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)nc(O)c1C1CCCCC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10-15-8(17)7(9(18)16-10)6-4-2-1-3-5-6/h6H,1-5H2,(H2,15,16,17,18)
InChIKeyGSKJMBGMWUEBNR-UHFFFAOYSA-N
XLogP2.54
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 43829384) is 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(C(F)(F)F)nc(O)c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is GSKJMBGMWUEBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)10-15-8(17)7(9(18)16-10)6-4-2-1-3-5-6/h6H,1-5H2,(H2,15,16,17,18).
What are the key properties of 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 262.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 43829384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).