6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione

C11H8ClFN2O3 — CID 113404586

IUPAC6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1cc(F)ccc1-n1c(=O)cc(Cl)[nH]c1=O
InChIInChI=1S/C11H8ClFN2O3/c1-18-8-4-6(13)2-3-7(8)15-10(16)5-9(12)14-11(15)17/h2-5H,1H3,(H,14,17)
InChIKeyJWDKWRIABUKDBD-UHFFFAOYSA-N
MW270.65 g/mol
LogP1.33
Rot. Bonds2

About 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione

6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 113404586) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID113404586
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1cc(F)ccc1-n1c(=O)cc(Cl)[nH]c1=O
InChIInChI=1S/C11H8ClFN2O3/c1-18-8-4-6(13)2-3-7(8)15-10(16)5-9(12)14-11(15)17/h2-5H,1H3,(H,14,17)
InChIKeyJWDKWRIABUKDBD-UHFFFAOYSA-N
XLogP1.33
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(4-fluoro-2-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115947418
4-(4-fluoro-2-methoxyphenyl)morpholine-2,6-dione
CID 63789775
1-(4-fluoro-2-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62402749
4,5-difluoro-3-(4-fluoro-2-methoxyphenyl)-1H-benzimidazole-2-thione
CID 62531346
1-(4-fluoro-2-methoxyphenyl)-3-methylpiperazine-2,5-dione
CID 64966580
3-(4-fluoro-2-methoxyphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 63547109
3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 103482061
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-fluoro-2-methoxybenzaldehyde
CID 2774537
3-(4-fluoro-2-methoxyphenyl)-4-methyl-1H-benzimidazole-2-thione
CID 115551805
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
CID 64966592

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 113404586) is 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione is COc1cc(F)ccc1-n1c(=O)cc(Cl)[nH]c1=O.
What is the InChIKey of 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JWDKWRIABUKDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c1-18-8-4-6(13)2-3-7(8)15-10(16)5-9(12)14-11(15)17/h2-5H,1H3,(H,14,17).
What are the key properties of 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione?
6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 270.65 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).