5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one

C13H13FN2O — CID 136955627

IUPAC5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one
SMILESCCc1c(-c2cc(C)cc(F)c2)nc[nH]c1=O
InChIInChI=1S/C13H13FN2O/c1-3-11-12(15-7-16-13(11)17)9-4-8(2)5-10(14)6-9/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyVVOVZYBJCQSKHE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.45
Rot. Bonds2

About 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one

5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 136955627) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one
PubChem CID136955627
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one
SMILESCCc1c(-c2cc(C)cc(F)c2)nc[nH]c1=O
InChIInChI=1S/C13H13FN2O/c1-3-11-12(15-7-16-13(11)17)9-4-8(2)5-10(14)6-9/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyVVOVZYBJCQSKHE-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136955513
methyl 3-fluoro-5-(6-oxo-5-propyl-1H-pyrimidin-4-yl)benzoate
CID 136770487
4-(4-tert-butylphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136692482
5-ethyl-4-(5-propoxy-3-pyridinyl)-1H-pyrimidin-6-one
CID 136769899
5-ethyl-4-(2,3,4-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692786
5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692282
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136692126
4-(4-chloro-3-methoxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136769434
4-(3,5-dimethylphenyl)-5-methoxy-1H-pyrimidin-6-one
CID 136691696
5-ethyl-4-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136769471
methyl 3-fluoro-5-(5-methyl-6-oxo-1H-pyrimidin-4-yl)benzoate
CID 136770482
4-(2-fluoro-5-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 136691841

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one (CID 136955627) is 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one is CCc1c(-c2cc(C)cc(F)c2)nc[nH]c1=O.
What is the InChIKey of 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is VVOVZYBJCQSKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-3-11-12(15-7-16-13(11)17)9-4-8(2)5-10(14)6-9/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one?
5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 232.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(3-fluoro-5-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).