5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one

C14H8F2N4O2 — CID 3072615

IUPAC5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2-c2ncc(F)c(=O)[nH]2)ncc1F
InChIInChI=1S/C14H8F2N4O2/c15-9-5-17-11(19-13(9)21)7-3-1-2-4-8(7)12-18-6-10(16)14(22)20-12/h1-6H,(H,17,19,21)(H,18,20,22)
InChIKeyCAOHYWHMHUVSOY-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.47
Rot. Bonds2

About 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one

5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one (PubChem CID 3072615) has the molecular formula C14H8F2N4O2 and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one
PubChem CID3072615
Molecular FormulaC14H8F2N4O2
Molecular Weight302.24 g/mol
Exact Mass302.06
IUPAC Name5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2-c2ncc(F)c(=O)[nH]2)ncc1F
InChIInChI=1S/C14H8F2N4O2/c15-9-5-17-11(19-13(9)21)7-3-1-2-4-8(7)12-18-6-10(16)14(22)20-12/h1-6H,(H,17,19,21)(H,18,20,22)
InChIKeyCAOHYWHMHUVSOY-UHFFFAOYSA-N
XLogP1.47
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one (CID 3072615) is 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2-c2ncc(F)c(=O)[nH]2)ncc1F.
What is the InChIKey of 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is CAOHYWHMHUVSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4O2/c15-9-5-17-11(19-13(9)21)7-3-1-2-4-8(7)12-18-6-10(16)14(22)20-12/h1-6H,(H,17,19,21)(H,18,20,22).
What are the key properties of 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one?
5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 302.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 3072615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).