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

C11H8ClFN2O — CID 136740674

IUPAC5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(F)cc2)[nH]c(=O)c1Cl
InChIInChI=1S/C11H8ClFN2O/c1-6-9(12)11(16)15-10(14-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,16)
InChIKeyZHZRUYJTNCLDJK-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.54
Rot. Bonds1

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

5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136740674) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136740674
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(F)cc2)[nH]c(=O)c1Cl
InChIInChI=1S/C11H8ClFN2O/c1-6-9(12)11(16)15-10(14-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,16)
InChIKeyZHZRUYJTNCLDJK-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

3-[2-(4-fluorophenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973653
2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136954365
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
2-(4-fluorophenyl)-4-hydroxy-5-methoxy-1H-pyrimidin-6-one
CID 122574011
N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
CID 135909405
3-(4-chlorophenyl)-6-methyl-4H-1,2,4-triazin-5-one
CID 135472873
5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141897
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
5-acetyl-2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one
CID 137195237
2-(3-chloro-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136873133
4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole
CID 91686424

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one (CID 136740674) is 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(F)cc2)[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZHZRUYJTNCLDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-6-9(12)11(16)15-10(14-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one?
5-chloro-2-(4-fluorophenyl)-4-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 5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136740674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).