2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one

C10H6F3N3O — CID 53233791

IUPAC2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Nc2ccc(F)cc2F)ncc1F
InChIInChI=1S/C10H6F3N3O/c11-5-1-2-8(6(12)3-5)15-10-14-4-7(13)9(17)16-10/h1-4H,(H2,14,15,16,17)
InChIKeyFEBNYAUEMCDLSA-UHFFFAOYSA-N
MW241.17 g/mol
LogP1.93
Rot. Bonds2

About 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one

2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one (PubChem CID 53233791) has the molecular formula C10H6F3N3O and a molecular weight of 241.17 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one
PubChem CID53233791
Molecular FormulaC10H6F3N3O
Molecular Weight241.17 g/mol
Exact Mass241.05
IUPAC Name2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Nc2ccc(F)cc2F)ncc1F
InChIInChI=1S/C10H6F3N3O/c11-5-1-2-8(6(12)3-5)15-10-14-4-7(13)9(17)16-10/h1-4H,(H2,14,15,16,17)
InChIKeyFEBNYAUEMCDLSA-UHFFFAOYSA-N
XLogP1.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluoroanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779279
2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779284
5-fluoro-2-hydrazinyl-1H-pyrimidin-6-one;hydrochloride
CID 172639860
N-(5-fluoro-2-methylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559294
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
8-N-(2,4-difluorophenyl)-2-N-propan-2-yl-7H-purine-2,8-diamine
CID 67587660
N-(2,4-difluorophenyl)pyridin-2-amine
CID 14914349
3-(2,5-difluoroanilino)-6-phenyl-4H-1,2,4-triazin-5-one
CID 136779310
N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840
N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 42226838
5-N-(2,4-difluorophenyl)pyridine-3,5-diamine
CID 104532376
4-N-(2,4-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19153814

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one (CID 53233791) is 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one is O=c1[nH]c(Nc2ccc(F)cc2F)ncc1F.
What is the InChIKey of 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is FEBNYAUEMCDLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O/c11-5-1-2-8(6(12)3-5)15-10-14-4-7(13)9(17)16-10/h1-4H,(H2,14,15,16,17).
What are the key properties of 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one?
2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 241.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 53233791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).