2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

C14H11F3N2O2 — CID 103240890

IUPAC2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc(C(F)(F)F)cc2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)21-12-7-11(20)18-13(19-12)8-1-2-8/h3-8H,1-2H2,(H,18,19,20)
InChIKeyJKZQESRXIHXUGE-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.46
Rot. Bonds3

About 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (PubChem CID 103240890) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
PubChem CID103240890
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESO=c1cc(Oc2ccc(C(F)(F)F)cc2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)21-12-7-11(20)18-13(19-12)8-1-2-8/h3-8H,1-2H2,(H,18,19,20)
InChIKeyJKZQESRXIHXUGE-UHFFFAOYSA-N
XLogP3.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (CID 103240890) is 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is O=c1cc(Oc2ccc(C(F)(F)F)cc2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is JKZQESRXIHXUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-5-10(6-4-9)21-12-7-11(20)18-13(19-12)8-1-2-8/h3-8H,1-2H2,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 296.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103240890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).