1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione

C17H19FN2O2 — CID 153461023

IUPAC1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1cn(C2CCC2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H19FN2O2/c1-11(2)15-10-19(13-4-3-5-13)17(22)20(16(15)21)14-8-6-12(18)7-9-14/h6-11,13H,3-5H2,1-2H3
InChIKeyADEPTVFXIPRSOQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.99
Rot. Bonds3

About 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione

1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 153461023) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID153461023
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1cn(C2CCC2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H19FN2O2/c1-11(2)15-10-19(13-4-3-5-13)17(22)20(16(15)21)14-8-6-12(18)7-9-14/h6-11,13H,3-5H2,1-2H3
InChIKeyADEPTVFXIPRSOQ-UHFFFAOYSA-N
XLogP2.99
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 153461023) is 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1cn(C2CCC2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is ADEPTVFXIPRSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-11(2)15-10-19(13-4-3-5-13)17(22)20(16(15)21)14-8-6-12(18)7-9-14/h6-11,13H,3-5H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione?
1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 302.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 153461023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).