1-(difluoromethyl)pyrimidine-2,4-dione

C5H4F2N2O2 — CID 21297853

IUPAC1-(difluoromethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(C(F)F)c(=O)[nH]1
InChIInChI=1S/C5H4F2N2O2/c6-4(7)9-2-1-3(10)8-5(9)11/h1-2,4H,(H,8,10,11)
InChIKeyITRIHCJCUFFVPL-UHFFFAOYSA-N
MW162.09 g/mol
LogP-0.07
Rot. Bonds1

About 1-(difluoromethyl)pyrimidine-2,4-dione

1-(difluoromethyl)pyrimidine-2,4-dione (PubChem CID 21297853) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.09 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(difluoromethyl)pyrimidine-2,4-dione
PubChem CID21297853
Molecular FormulaC5H4F2N2O2
Molecular Weight162.09 g/mol
Exact Mass162.02
IUPAC Name1-(difluoromethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(C(F)F)c(=O)[nH]1
InChIInChI=1S/C5H4F2N2O2/c6-4(7)9-2-1-3(10)8-5(9)11/h1-2,4H,(H,8,10,11)
InChIKeyITRIHCJCUFFVPL-UHFFFAOYSA-N
XLogP-0.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(difluoromethyl)pyrimidine-2,4-dione (CID 21297853) is 1-(difluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(difluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(difluoromethyl)pyrimidine-2,4-dione is O=c1ccn(C(F)F)c(=O)[nH]1.
What is the InChIKey of 1-(difluoromethyl)pyrimidine-2,4-dione?
The InChIKey is ITRIHCJCUFFVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c6-4(7)9-2-1-3(10)8-5(9)11/h1-2,4H,(H,8,10,11).
What are the key properties of 1-(difluoromethyl)pyrimidine-2,4-dione?
1-(difluoromethyl)pyrimidine-2,4-dione has a molecular weight of 162.09 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 21297853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).