4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one

C11H7F2N3O2 — CID 58138297

IUPAC4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one
SMILESNc1nc(=O)n(C(=O)c2ccccc2F)cc1F
InChIInChI=1S/C11H7F2N3O2/c12-7-4-2-1-3-6(7)10(17)16-5-8(13)9(14)15-11(16)18/h1-5H,(H2,14,15,18)
InChIKeyDRZBHZXZEGTXCV-UHFFFAOYSA-N
MW251.19 g/mol
LogP0.79
Rot. Bonds1

About 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one

4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one (PubChem CID 58138297) has the molecular formula C11H7F2N3O2 and a molecular weight of 251.19 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one
PubChem CID58138297
Molecular FormulaC11H7F2N3O2
Molecular Weight251.19 g/mol
Exact Mass251.05
IUPAC Name4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one
SMILESNc1nc(=O)n(C(=O)c2ccccc2F)cc1F
InChIInChI=1S/C11H7F2N3O2/c12-7-4-2-1-3-6(7)10(17)16-5-8(13)9(14)15-11(16)18/h1-5H,(H2,14,15,18)
InChIKeyDRZBHZXZEGTXCV-UHFFFAOYSA-N
XLogP0.79
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one (CID 58138297) is 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one is Nc1nc(=O)n(C(=O)c2ccccc2F)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one?
The InChIKey is DRZBHZXZEGTXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2/c12-7-4-2-1-3-6(7)10(17)16-5-8(13)9(14)15-11(16)18/h1-5H,(H2,14,15,18).
What are the key properties of 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one has a molecular weight of 251.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(2-fluorobenzoyl)pyrimidin-2-one is sourced from PubChem (CID 58138297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).