6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione

C12H9Cl2FN2O2 — CID 113404580

IUPAC6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1CCc1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2FN2O2/c13-8-3-1-7(2-4-8)5-6-17-11(18)9(15)10(14)16-12(17)19/h1-4H,5-6H2,(H,16,19)
InChIKeyMCHZKAYIQHGPEH-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.23
Rot. Bonds3

About 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione

6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 113404580) has the molecular formula C12H9Cl2FN2O2 and a molecular weight of 303.12 g/mol. Its IUPAC name is 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID113404580
Molecular FormulaC12H9Cl2FN2O2
Molecular Weight303.12 g/mol
Exact Mass302.00
IUPAC Name6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1CCc1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2FN2O2/c13-8-3-1-7(2-4-8)5-6-17-11(18)9(15)10(14)16-12(17)19/h1-4H,5-6H2,(H,16,19)
InChIKeyMCHZKAYIQHGPEH-UHFFFAOYSA-N
XLogP2.23
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404444
6-chloro-5-fluoro-3-[2-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404659
6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
CID 113404547
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003
3-[2-(4-chlorophenyl)ethyl]-6-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 4053333
5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
CID 130246360
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
3-[2-[4-(4-chlorophenyl)phenyl]ethyl]-4-hydroxy-1,3-oxazol-2-one
CID 90956958
1-[2-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 6472394
3-[2-(4-chlorophenyl)ethyl]-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 3289686
6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404223
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione (CID 113404580) is 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(F)c(=O)n1CCc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is MCHZKAYIQHGPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2/c13-8-3-1-7(2-4-8)5-6-17-11(18)9(15)10(14)16-12(17)19/h1-4H,5-6H2,(H,16,19).
What are the key properties of 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione?
6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 303.12 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).