3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione

C15H13ClF2N2O3 — CID 2969510

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H13ClF2N2O3/c16-10-3-1-4-11(17)9(10)7-20-14(21)12(18)8-19(15(20)22)13-5-2-6-23-13/h1,3-4,8,13H,2,5-7H2
InChIKeySALKRGIQFMMYBW-UHFFFAOYSA-N
MW342.73 g/mol
LogP2.30
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione

3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 2969510) has the molecular formula C15H13ClF2N2O3 and a molecular weight of 342.73 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID2969510
Molecular FormulaC15H13ClF2N2O3
Molecular Weight342.73 g/mol
Exact Mass342.06
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H13ClF2N2O3/c16-10-3-1-4-11(17)9(10)7-20-14(21)12(18)8-19(15(20)22)13-5-2-6-23-13/h1,3-4,8,13H,2,5-7H2
InChIKeySALKRGIQFMMYBW-UHFFFAOYSA-N
XLogP2.30
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 2969510) is 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is SALKRGIQFMMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O3/c16-10-3-1-4-11(17)9(10)7-20-14(21)12(18)8-19(15(20)22)13-5-2-6-23-13/h1,3-4,8,13H,2,5-7H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 342.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 2969510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).