3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one

C23H25FN2O2 — CID 11245973

IUPAC3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCOc1ccccc1-c1nc(C)c(C(C)C)c(=O)n1CCc1cccc(F)c1
InChIInChI=1S/C23H25FN2O2/c1-15(2)21-16(3)25-22(19-10-5-6-11-20(19)28-4)26(23(21)27)13-12-17-8-7-9-18(24)14-17/h5-11,14-15H,12-13H2,1-4H3
InChIKeyJUSYRSOIJQYWBP-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.73
Rot. Bonds6

About 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one

3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 11245973) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one
PubChem CID11245973
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCOc1ccccc1-c1nc(C)c(C(C)C)c(=O)n1CCc1cccc(F)c1
InChIInChI=1S/C23H25FN2O2/c1-15(2)21-16(3)25-22(19-10-5-6-11-20(19)28-4)26(23(21)27)13-12-17-8-7-9-18(24)14-17/h5-11,14-15H,12-13H2,1-4H3
InChIKeyJUSYRSOIJQYWBP-UHFFFAOYSA-N
XLogP4.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one (CID 11245973) is 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one is COc1ccccc1-c1nc(C)c(C(C)C)c(=O)n1CCc1cccc(F)c1.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is JUSYRSOIJQYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-15(2)21-16(3)25-22(19-10-5-6-11-20(19)28-4)26(23(21)27)13-12-17-8-7-9-18(24)14-17/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one?
3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 380.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 11245973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).