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

C15H13Cl2FN2O3 — CID 3775679

IUPAC3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O3/c16-10-4-3-9(6-11(10)17)7-20-14(21)12(18)8-19(15(20)22)13-2-1-5-23-13/h3-4,6,8,13H,1-2,5,7H2
InChIKeyUEEPETGKHZXPLL-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.81
Rot. Bonds3

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

3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 3775679) has the molecular formula C15H13Cl2FN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID3775679
Molecular FormulaC15H13Cl2FN2O3
Molecular Weight359.18 g/mol
Exact Mass358.03
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O3/c16-10-4-3-9(6-11(10)17)7-20-14(21)12(18)8-19(15(20)22)13-2-1-5-23-13/h3-4,6,8,13H,1-2,5,7H2
InChIKeyUEEPETGKHZXPLL-UHFFFAOYSA-N
XLogP2.81
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 3775679) is 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is UEEPETGKHZXPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3/c16-10-4-3-9(6-11(10)17)7-20-14(21)12(18)8-19(15(20)22)13-2-1-5-23-13/h3-4,6,8,13H,1-2,5,7H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 359.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 3775679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).