5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one

C11H8F3N3O3 — CID 146487356

IUPAC5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
SMILESNc1c(Oc2cccc(OC(F)(F)F)c2)nc[nH]c1=O
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)20-7-3-1-2-6(4-7)19-10-8(15)9(18)16-5-17-10/h1-5H,15H2,(H,16,17,18)
InChIKeyNRJKAUSIBXEYAN-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.04
Rot. Bonds3

About 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one

5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one (PubChem CID 146487356) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
PubChem CID146487356
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
SMILESNc1c(Oc2cccc(OC(F)(F)F)c2)nc[nH]c1=O
InChIInChI=1S/C11H8F3N3O3/c12-11(13,14)20-7-3-1-2-6(4-7)19-10-8(15)9(18)16-5-17-10/h1-5H,15H2,(H,16,17,18)
InChIKeyNRJKAUSIBXEYAN-UHFFFAOYSA-N
XLogP2.04
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one (CID 146487356) is 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one is Nc1c(Oc2cccc(OC(F)(F)F)c2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is NRJKAUSIBXEYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c12-11(13,14)20-7-3-1-2-6(4-7)19-10-8(15)9(18)16-5-17-10/h1-5H,15H2,(H,16,17,18).
What are the key properties of 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one?
5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 287.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 146487356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).