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

C15H14ClFN2O3 — CID 2980311

IUPAC3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2O3/c16-11-5-3-10(4-6-11)8-19-14(20)12(17)9-18(15(19)21)13-2-1-7-22-13/h3-6,9,13H,1-2,7-8H2
InChIKeyBXJGLWOEEUVBFE-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.16
Rot. Bonds3

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

3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 2980311) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID2980311
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClFN2O3/c16-11-5-3-10(4-6-11)8-19-14(20)12(17)9-18(15(19)21)13-2-1-7-22-13/h3-6,9,13H,1-2,7-8H2
InChIKeyBXJGLWOEEUVBFE-UHFFFAOYSA-N
XLogP2.16
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 2980311) is 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is BXJGLWOEEUVBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c16-11-5-3-10(4-6-11)8-19-14(20)12(17)9-18(15(19)21)13-2-1-7-22-13/h3-6,9,13H,1-2,7-8H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 324.74 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 2980311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).