6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

C11H8ClFN2O2 — CID 2143092

IUPAC6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O2/c12-9-5-10(16)15(11(17)14-9)6-7-1-3-8(13)4-2-7/h1-5H,6H2,(H,14,17)
InChIKeyZLMLOZZHKPVQMF-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.38
Rot. Bonds2

About 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 2143092) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID2143092
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O2/c12-9-5-10(16)15(11(17)14-9)6-7-1-3-8(13)4-2-7/h1-5H,6H2,(H,14,17)
InChIKeyZLMLOZZHKPVQMF-UHFFFAOYSA-N
XLogP1.38
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 2143092) is 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZLMLOZZHKPVQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c12-9-5-10(16)15(11(17)14-9)6-7-1-3-8(13)4-2-7/h1-5H,6H2,(H,14,17).
What are the key properties of 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 254.65 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2143092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).