5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione

C15H14FN3O5 — CID 3423151

IUPAC5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14FN3O5/c16-12-9-17(13-2-1-7-24-13)15(21)18(14(12)20)8-10-3-5-11(6-4-10)19(22)23/h3-6,9,13H,1-2,7-8H2
InChIKeyAFZTXICWZLCKNC-UHFFFAOYSA-N
MW335.29 g/mol
LogP1.41
Rot. Bonds4

About 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione

5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 3423151) has the molecular formula C15H14FN3O5 and a molecular weight of 335.29 g/mol. Its IUPAC name is 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID3423151
Molecular FormulaC15H14FN3O5
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14FN3O5/c16-12-9-17(13-2-1-7-24-13)15(21)18(14(12)20)8-10-3-5-11(6-4-10)19(22)23/h3-6,9,13H,1-2,7-8H2
InChIKeyAFZTXICWZLCKNC-UHFFFAOYSA-N
XLogP1.41
TPSA96.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-1-[(2-nitrophenyl)methyl]pyrimidine-2,4(1H,3H)-dione
CID 11149754
5-Fluoro-1,3-bis[(2-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 44382507
5-Fluoro-3-[(2-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 44382552
5-Fluoro-1,3-bis[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 269597
5-Fluoro-1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 89474304
5-fluoro-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 91623260
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-3-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 162718840
1-(4-Nitrobenzyl)pyrimidine-2,4(1h,3h)-dione
CID 269599
5-fluoro-3-[(4-nitrophenyl)methyl]-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 752727
5-fluoro-3-[(4-nitrophenyl)methyl]-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione
CID 752729
1-Ethyl-3-[(5-fluoro-2-nitrophenyl)methyl]pyrimidine-2,4-dione
CID 63810918
3-[(5-Fluoro-2-nitrophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 63812541

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 3423151) is 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is AFZTXICWZLCKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O5/c16-12-9-17(13-2-1-7-24-13)15(21)18(14(12)20)8-10-3-5-11(6-4-10)19(22)23/h3-6,9,13H,1-2,7-8H2.
What are the key properties of 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 335.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(4-nitrophenyl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 3423151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).