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

C15H15FN2O3 — CID 752733

IUPAC3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H15FN2O3/c16-12-10-17(13-7-4-8-21-13)15(20)18(14(12)19)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2/t13-/m1/s1
InChIKeyUIKXFKPZKUHTBB-CYBMUJFWSA-N
MW290.29 g/mol
LogP1.51
Rot. Bonds3

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

3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 752733) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID752733
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H15FN2O3/c16-12-10-17(13-7-4-8-21-13)15(20)18(14(12)19)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2/t13-/m1/s1
InChIKeyUIKXFKPZKUHTBB-CYBMUJFWSA-N
XLogP1.51
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-5-fluoropyrimidine-2,4(1h,3h)-dione
CID 563429
Ethyl 3-(3-benzyl-5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 805490
3-(2,6-dichlorobenzyl)-5-fluoro-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione
CID 2962693
3-[(2-Chloro-6-fluorophenyl)methyl]-5-fluoro-1-(2-oxolanyl)pyrimidine-2,4-dione
CID 2969510
1,3-Dibenzyl-5-fluorouracil
CID 348853
Uracil, 5-fluoro-1-(p-fluorobenzyl)-
CID 911504
1-Benzyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 13114197
5-fluoro-3-(2-fluorobenzyl)-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione
CID 2962690
3-(4-chlorobenzyl)-5-fluoro-1-(tetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione
CID 2980311
3-Benzyl-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 3125979
5-Methyl-1-(4-fluoro-benzyl)-1H-pyrimidine-2,4-dione
CID 5276660
1-[(3-Fluorophenyl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 5276661

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione (CID 752733) is 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione is O=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UIKXFKPZKUHTBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-12-10-17(13-7-4-8-21-13)15(20)18(14(12)19)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2/t13-/m1/s1.
What are the key properties of 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione?
3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 290.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 752733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).