5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C16H12FN3O — CID 21045476

IUPAC5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1cnc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H12FN3O/c1-20-10-19-15(12-6-8-18-9-7-12)14(16(20)21)11-2-4-13(17)5-3-11/h2-10H,1H3
InChIKeyNESXCGGDWBTFAZ-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.65
Rot. Bonds2

About 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 21045476) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID21045476
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1cnc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H12FN3O/c1-20-10-19-15(12-6-8-18-9-7-12)14(16(20)21)11-2-4-13(17)5-3-11/h2-10H,1H3
InChIKeyNESXCGGDWBTFAZ-UHFFFAOYSA-N
XLogP2.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 21045476) is 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1cnc(-c2ccncc2)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is NESXCGGDWBTFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-20-10-19-15(12-6-8-18-9-7-12)14(16(20)21)11-2-4-13(17)5-3-11/h2-10H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 281.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 21045476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).