4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one

C11H8ClFN2O — CID 136770511

IUPAC4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cc(F)ccc2Cl)nc[nH]c1=O
InChIInChI=1S/C11H8ClFN2O/c1-6-10(14-5-15-11(6)16)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H,14,15,16)
InChIKeyWDRUIYJXFLJFEW-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.54
Rot. Bonds1

About 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one

4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136770511) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136770511
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cc(F)ccc2Cl)nc[nH]c1=O
InChIInChI=1S/C11H8ClFN2O/c1-6-10(14-5-15-11(6)16)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H,14,15,16)
InChIKeyWDRUIYJXFLJFEW-UHFFFAOYSA-N
XLogP2.54
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
4-(2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136691870
6-(2-chloro-5-fluorophenyl)-1H-pyrimidine-4-thione
CID 106523057
5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770216
5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
CID 136769791
1-[5-(2-chloro-5-fluorophenyl)-2H-triazol-4-yl]ethanone
CID 82372901
4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 105396018
3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine
CID 105396110
methyl 3-fluoro-5-(5-methyl-6-oxo-1H-pyrimidin-4-yl)benzoate
CID 136770482

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one (CID 136770511) is 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2cc(F)ccc2Cl)nc[nH]c1=O.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is WDRUIYJXFLJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-6-10(14-5-15-11(6)16)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 238.65 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).