2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

C19H17FN2O — CID 143475083

IUPAC2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCc2ccccc2)c(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN2O/c1-14-12-18(23)22(11-10-15-6-3-2-4-7-15)19(21-14)16-8-5-9-17(20)13-16/h2-9,12-13H,10-11H2,1H3
InChIKeyDBOGAIVDRIQUMN-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.60
Rot. Bonds4

About 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (PubChem CID 143475083) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
PubChem CID143475083
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCc2ccccc2)c(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17FN2O/c1-14-12-18(23)22(11-10-15-6-3-2-4-7-15)19(21-14)16-8-5-9-17(20)13-16/h2-9,12-13H,10-11H2,1H3
InChIKeyDBOGAIVDRIQUMN-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-5-[5-[6-(hydroxymethyl)-3-pyridinyl]thiophen-2-yl]-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143971454
6-methyl-3-(2-phenylethyl)-2-piperidin-1-ylpyrimidin-4-one
CID 30322612
1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid
CID 142695967
2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one
CID 46849277
5,7-dimethyl-1-(2-phenylethyl)-1,8-naphthyridin-2-one
CID 139602583
4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one
CID 71326926
3-[(3-fluorophenyl)methyl]-5-(2-hydroxyethyl)-6-methyl-2-phenylpyrimidin-4-one
CID 53191837
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 131906363
5-(3-fluorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076789
1-[2-(3-fluorophenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3814503
3-[(3-fluorophenyl)methylsulfanyl]-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 40689180

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (CID 143475083) is 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is Cc1cc(=O)n(CCc2ccccc2)c(-c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is DBOGAIVDRIQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-14-12-18(23)22(11-10-15-6-3-2-4-7-15)19(21-14)16-8-5-9-17(20)13-16/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 308.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 143475083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).