5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione

C10H6F2N2O2 — CID 53222281

IUPAC5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(F)cc(F)c2)c(=O)[nH]1
InChIInChI=1S/C10H6F2N2O2/c11-6-1-5(2-7(12)3-6)8-4-13-10(16)14-9(8)15/h1-4H,(H2,13,14,15,16)
InChIKeyYAKLGGBRLPWQID-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.01
Rot. Bonds1

About 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione

5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 53222281) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione
PubChem CID53222281
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(F)cc(F)c2)c(=O)[nH]1
InChIInChI=1S/C10H6F2N2O2/c11-6-1-5(2-7(12)3-6)8-4-13-10(16)14-9(8)15/h1-4H,(H2,13,14,15,16)
InChIKeyYAKLGGBRLPWQID-UHFFFAOYSA-N
XLogP1.01
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione (CID 53222281) is 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(F)cc(F)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YAKLGGBRLPWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-6-1-5(2-7(12)3-6)8-4-13-10(16)14-9(8)15/h1-4H,(H2,13,14,15,16).
What are the key properties of 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione?
5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 224.17 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53222281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).