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

C15H13Cl2FN2O3 — CID 7353019

IUPAC3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1c(F)cn([C@@H]2CCCO2)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/t13-/m0/s1
InChIKeyUEEPETGKHZXPLL-ZDUSSCGKSA-N
MW359.18 g/mol
LogP2.81
Rot. Bonds3

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

3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 7353019) 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-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID7353019
Molecular FormulaC15H13Cl2FN2O3
Molecular Weight359.18 g/mol
Exact Mass358.03
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1c(F)cn([C@@H]2CCCO2)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/t13-/m0/s1
InChIKeyUEEPETGKHZXPLL-ZDUSSCGKSA-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

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

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Related Compounds

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
6-(3,4-Dichloro-benzylamino)-3-(4-methoxy-butyl)-1H-pyrimidine-2,4-dione
CID 11057774
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
3-(2-chlorobenzyl)-5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
CID 657900
1,3-Bis[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 1711888
3-[(2-chlorophenyl)methyl]-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 911393
3-(2,4-dichlorobenzyl)-5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
CID 3782690
2,4(1H,3H)-Pyrimidinedione, 1-((3,4-dichlorophenyl)methyl)-
CID 156708
3-benzyl-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 752733
3-benzyl-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione
CID 752735

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione (CID 7353019) is 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione is O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UEEPETGKHZXPLL-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione?
3-[(3,4-dichlorophenyl)methyl]-5-fluoro-1-[(2S)-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-[(2S)-oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 7353019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).