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

C18H23FN2O2 — CID 146432667

IUPAC3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCC(CC)n1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C18H23FN2O2/c1-5-14(6-2)20-11-16(12(3)4)17(22)21(18(20)23)15-9-7-13(19)8-10-15/h7-12,14H,5-6H2,1-4H3
InChIKeyBILKDGHMCQSUMT-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.62
Rot. Bonds5

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

3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 146432667) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID146432667
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCC(CC)n1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C18H23FN2O2/c1-5-14(6-2)20-11-16(12(3)4)17(22)21(18(20)23)15-9-7-13(19)8-10-15/h7-12,14H,5-6H2,1-4H3
InChIKeyBILKDGHMCQSUMT-UHFFFAOYSA-N
XLogP3.62
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-(4-fluorophenyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 153461023
1-(2-fluoroethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbaldehyde
CID 166707153
ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
CID 146424705
3-amino-6-ethyl-1-(4-fluorophenyl)pyridin-2-one
CID 105490770
5-acetyl-1-(2-ethoxyethyl)-3-(4-fluorophenyl)pyrimidine-2,4-dione
CID 144877120
5-ethyl-3-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 174964829
N-butan-2-yl-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088701
3-(4-fluorophenyl)-1-(1-methylazetidin-3-yl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 146425707
4-[(Z)-1-amino-3-iminoprop-1-enyl]-3-(4-fluorophenyl)-1-octan-4-ylimidazol-2-one
CID 88999617
1-(4-fluorophenyl)-3-isocyano-6-propan-2-ylpyridin-2-one
CID 58158562
3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 175771443
3-[(1S)-1-aminopropyl]-4-(4-fluorophenyl)-1H-1,2,4-triazol-5-one
CID 102655035

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione (CID 146432667) is 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione is CCC(CC)n1cc(C(C)C)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is BILKDGHMCQSUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-5-14(6-2)20-11-16(12(3)4)17(22)21(18(20)23)15-9-7-13(19)8-10-15/h7-12,14H,5-6H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione?
3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 318.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-pentan-3-yl-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 146432667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).