1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one

C11H11FN2O — CID 129089344

IUPAC1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one
SMILESCN1CN(c2ccc(F)cc2)C=CC1=O
InChIInChI=1S/C11H11FN2O/c1-13-8-14(7-6-11(13)15)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3
InChIKeyKBLJWFRVNARBDF-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.58
Rot. Bonds1

About 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one

1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one (PubChem CID 129089344) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one
PubChem CID129089344
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one
SMILESCN1CN(c2ccc(F)cc2)C=CC1=O
InChIInChI=1S/C11H11FN2O/c1-13-8-14(7-6-11(13)15)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3
InChIKeyKBLJWFRVNARBDF-UHFFFAOYSA-N
XLogP1.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-phenyl-2H-imidazole
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1-methyl-3-[4-(3-methyl-2H-imidazol-1-yl)phenyl]-2H-imidazole
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(3aR,7aR)-2-(4-fluorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
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2-(4-fluorophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
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1-(4-bromo-3-fluorophenyl)-4-(4-fluorophenyl)-3-methyl-2H-imidazole
CID 174913580
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1-(4-fluorophenyl)-2-methylpyrazolidine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one (CID 129089344) is 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one is CN1CN(c2ccc(F)cc2)C=CC1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one?
The InChIKey is KBLJWFRVNARBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-13-8-14(7-6-11(13)15)10-4-2-9(12)3-5-10/h2-7H,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one?
1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one has a molecular weight of 206.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-2H-pyrimidin-4-one is sourced from PubChem (CID 129089344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).