6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one

C21H15FN2O — CID 30868600

IUPAC6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc2ccccc12
InChIInChI=1S/C21H15FN2O/c22-18-10-8-16(9-11-18)20-12-21(25)24(14-23-20)13-17-6-3-5-15-4-1-2-7-19(15)17/h1-12,14H,13H2
InChIKeyLNEQXBMQAFJUAB-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.25
Rot. Bonds3

About 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one

6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one (PubChem CID 30868600) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one
PubChem CID30868600
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc2ccccc12
InChIInChI=1S/C21H15FN2O/c22-18-10-8-16(9-11-18)20-12-21(25)24(14-23-20)13-17-6-3-5-15-4-1-2-7-19(15)17/h1-12,14H,13H2
InChIKeyLNEQXBMQAFJUAB-UHFFFAOYSA-N
XLogP4.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one (CID 30868600) is 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one is O=c1cc(-c2ccc(F)cc2)ncn1Cc1cccc2ccccc12.
What is the InChIKey of 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one?
The InChIKey is LNEQXBMQAFJUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c22-18-10-8-16(9-11-18)20-12-21(25)24(14-23-20)13-17-6-3-5-15-4-1-2-7-19(15)17/h1-12,14H,13H2.
What are the key properties of 6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one?
6-(4-fluorophenyl)-3-(naphthalen-1-ylmethyl)pyrimidin-4-one has a molecular weight of 330.36 g/mol, XLogP of 4.25, 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-(naphthalen-1-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 30868600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).