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

C9H9F3N2O2 — CID 99989019

IUPAC5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)nc(O)c1C1CCC1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-6(15)5(7(16)14-8)4-2-1-3-4/h4H,1-3H2,(H2,13,14,15,16)
InChIKeyWCTCECVJEVLTNK-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.76
Rot. Bonds1

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

5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 99989019) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID99989019
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)nc(O)c1C1CCC1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-6(15)5(7(16)14-8)4-2-1-3-4/h4H,1-3H2,(H2,13,14,15,16)
InChIKeyWCTCECVJEVLTNK-UHFFFAOYSA-N
XLogP1.76
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 99989019) is 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(C(F)(F)F)nc(O)c1C1CCC1.
What is the InChIKey of 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is WCTCECVJEVLTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)8-13-6(15)5(7(16)14-8)4-2-1-3-4/h4H,1-3H2,(H2,13,14,15,16).
What are the key properties of 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 234.18 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 99989019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).