6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione

C5H4ClFN2O2 — CID 119096218

IUPAC6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CCl)c(F)c(=O)[nH]1
InChIInChI=1S/C5H4ClFN2O2/c6-1-2-3(7)4(10)9-5(11)8-2/h1H2,(H2,8,9,10,11)
InChIKeyRWXPPHXOARSSGI-UHFFFAOYSA-N
MW178.55 g/mol
LogP-0.06
Rot. Bonds1

About 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione

6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 119096218) has the molecular formula C5H4ClFN2O2 and a molecular weight of 178.55 g/mol. Its IUPAC name is 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID119096218
Molecular FormulaC5H4ClFN2O2
Molecular Weight178.55 g/mol
Exact Mass177.99
IUPAC Name6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(CCl)c(F)c(=O)[nH]1
InChIInChI=1S/C5H4ClFN2O2/c6-1-2-3(7)4(10)9-5(11)8-2/h1H2,(H2,8,9,10,11)
InChIKeyRWXPPHXOARSSGI-UHFFFAOYSA-N
XLogP-0.06
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.55
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione (CID 119096218) is 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]c(CCl)c(F)c(=O)[nH]1.
What is the InChIKey of 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is RWXPPHXOARSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2O2/c6-1-2-3(7)4(10)9-5(11)8-2/h1H2,(H2,8,9,10,11).
What are the key properties of 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione?
6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 178.55 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 119096218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).