3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione

C17H17F3N2O5 — CID 14769227

IUPAC3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1c(C(F)(F)F)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H17F3N2O5/c18-17(19,20)11-8-21(14-6-12(24)13(9-23)27-14)16(26)22(15(11)25)7-10-4-2-1-3-5-10/h1-5,8,12-14,23-24H,6-7,9H2/t12-,13+,14+/m0/s1
InChIKeyPCYOJPBAISUWBY-BFHYXJOUSA-N
MW386.33 g/mol
LogP0.72
Rot. Bonds4

About 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione

3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 14769227) has the molecular formula C17H17F3N2O5 and a molecular weight of 386.33 g/mol. Its IUPAC name is 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID14769227
Molecular FormulaC17H17F3N2O5
Molecular Weight386.33 g/mol
Exact Mass386.11
IUPAC Name3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESO=c1c(C(F)(F)F)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H17F3N2O5/c18-17(19,20)11-8-21(14-6-12(24)13(9-23)27-14)16(26)22(15(11)25)7-10-4-2-1-3-5-10/h1-5,8,12-14,23-24H,6-7,9H2/t12-,13+,14+/m0/s1
InChIKeyPCYOJPBAISUWBY-BFHYXJOUSA-N
XLogP0.72
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-O-Benzyl-2'-deoxy-5-trifluoromethyluridine
CID 125883
2'-Deoxy-5-[(4-methylphenyl)ethynyl]uridine
CID 13008875
5-Phenylethynyluridine
CID 11163724
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[(E)-styryl]pyrimidine-2,4-dione
CID 6473807
1-[5-(Benzylamino-methyl)-4-hydroxy-tetrahydro-furan-2-yl]-1H-pyrimidine-2,4-dione
CID 44403913
3-Benzyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 267295
[[(2R,3S,4R,5R)-5-(3-benzyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 155568906
N-benzyl-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanamide
CID 45281113
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-[4-(4-propylphenyl)buta-1,3-diynyl]pyrimidine-2,4-dione
CID 60167178
5-[4-(4-hexylphenyl)buta-1,3-diynyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CID 60167179
5-[4-(4-fluoro-3-methyl-phenyl)buta-1,3-diynyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CID 60167326
3-Phenylethyl-2'-deoxyuridine
CID 132580954

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 14769227) is 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione is O=c1c(C(F)(F)F)cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is PCYOJPBAISUWBY-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H17F3N2O5/c18-17(19,20)11-8-21(14-6-12(24)13(9-23)27-14)16(26)22(15(11)25)7-10-4-2-1-3-5-10/h1-5,8,12-14,23-24H,6-7,9H2/t12-,13+,14+/m0/s1.
What are the key properties of 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione?
3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 386.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 14769227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).