6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one

C18H15FN2O — CID 30868595

IUPAC6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
SMILESCc1ccccc1Cn1cnc(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C18H15FN2O/c1-13-4-2-3-5-15(13)11-21-12-20-17(10-18(21)22)14-6-8-16(19)9-7-14/h2-10,12H,11H2,1H3
InChIKeyNNQUATMWUFUOSJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.41
Rot. Bonds3

About 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one

6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one (PubChem CID 30868595) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
PubChem CID30868595
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
SMILESCc1ccccc1Cn1cnc(-c2ccc(F)cc2)cc1=O
InChIInChI=1S/C18H15FN2O/c1-13-4-2-3-5-15(13)11-21-12-20-17(10-18(21)22)14-6-8-16(19)9-7-14/h2-10,12H,11H2,1H3
InChIKeyNNQUATMWUFUOSJ-UHFFFAOYSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylpyrimido(2,1-a)isoindol-4(6H)-one
CID 663273
3-[5-(4-Benzylpiperazin-1-yl)pentyl]-6-phenylpyrimidin-4-one
CID 134131151
N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 9657452
2,7-Diphenylpyrido[1,2-a]pyrimidin-4-one
CID 56647941
3-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-6-(4-fluorophenyl)pyrimidin-4(3H)-one
CID 25884620
3-[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)-3,4-dihydropyrimidin-4-one
CID 25884627
6-(4-Fluorophenyl)-3-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 25884640
2-[4-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 25884704
2-[4-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 25884720
6-(4-fluorophenyl)-3-(2-oxo-2-(4-phenethylpiperazin-1-yl)ethyl)pyrimidin-4(3H)-one
CID 25884778
3-(2-fluorobenzyl)-6-(4-fluorophenyl)pyrimidin-4(3H)-one
CID 30868590
6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4(3H)-one
CID 30868600

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one (CID 30868595) is 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one is Cc1ccccc1Cn1cnc(-c2ccc(F)cc2)cc1=O.
What is the InChIKey of 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one?
The InChIKey is NNQUATMWUFUOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-13-4-2-3-5-15(13)11-21-12-20-17(10-18(21)22)14-6-8-16(19)9-7-14/h2-10,12H,11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one?
6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one has a molecular weight of 294.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 30868595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).