1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione

C13H12ClFN2O2 — CID 102620271

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2cc(F)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C13H12ClFN2O2/c1-2-8-6-17(13(19)16-12(8)18)7-9-5-10(15)3-4-11(9)14/h3-6H,2,7H2,1H3,(H,16,18,19)
InChIKeyZKXPHEZUPOKLER-UHFFFAOYSA-N
MW282.70 g/mol
LogP1.94
Rot. Bonds3

About 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione

1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 102620271) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
PubChem CID102620271
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2cc(F)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C13H12ClFN2O2/c1-2-8-6-17(13(19)16-12(8)18)7-9-5-10(15)3-4-11(9)14/h3-6H,2,7H2,1H3,(H,16,18,19)
InChIKeyZKXPHEZUPOKLER-UHFFFAOYSA-N
XLogP1.94
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 66330527
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934
1-[(2-amino-5-chlorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 79582345
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329734
1-[(4-amino-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329706
2-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile
CID 103760336
1-[(6-amino-3-chloro-2-pyridinyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328744
5-bromo-1-[(2,5-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 65321201
4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]benzoic acid
CID 66328535
5-bromo-1-[(2,4-difluorophenyl)methyl]pyrimidine-2,4-dione
CID 63777458
1-[(5-fluoro-2-methylphenyl)methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 105376392
1-[(3-bromophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328937

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione (CID 102620271) is 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(Cc2cc(F)ccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is ZKXPHEZUPOKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-2-8-6-17(13(19)16-12(8)18)7-9-5-10(15)3-4-11(9)14/h3-6H,2,7H2,1H3,(H,16,18,19).
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione?
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 282.70 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 102620271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).