5-(fluoromethyl)-1H-pyrimidine-2,4-dione

C5H5FN2O2 — CID 22172492

IUPAC5-(fluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CF)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1H2,(H2,7,8,9,10)
InChIKeyDIHQLCHDZVJFCV-UHFFFAOYSA-N
MW144.10 g/mol
LogP-0.47
Rot. Bonds1

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

5-(fluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 22172492) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 5-(fluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(fluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID22172492
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name5-(fluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CF)c(=O)[nH]1
InChIInChI=1S/C5H5FN2O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1H2,(H2,7,8,9,10)
InChIKeyDIHQLCHDZVJFCV-UHFFFAOYSA-N
XLogP-0.47
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(fluoromethyl)-1H-pyrimidine-2,4-dione (CID 22172492) is 5-(fluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(fluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(fluoromethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CF)c(=O)[nH]1.
What is the InChIKey of 5-(fluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is DIHQLCHDZVJFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,1H2,(H2,7,8,9,10).
What are the key properties of 5-(fluoromethyl)-1H-pyrimidine-2,4-dione?
5-(fluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 144.10 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22172492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).