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

C11H7Cl2FN2O2 — CID 113404444

IUPAC6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl2FN2O2/c12-7-3-1-6(2-4-7)5-16-10(17)8(14)9(13)15-11(16)18/h1-4H,5H2,(H,15,18)
InChIKeyCJTCZSOHCRCCOH-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.03
Rot. Bonds2

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

6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 113404444) has the molecular formula C11H7Cl2FN2O2 and a molecular weight of 289.09 g/mol. Its IUPAC name is 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID113404444
Molecular FormulaC11H7Cl2FN2O2
Molecular Weight289.09 g/mol
Exact Mass287.99
IUPAC Name6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl2FN2O2/c12-7-3-1-6(2-4-7)5-16-10(17)8(14)9(13)15-11(16)18/h1-4H,5H2,(H,15,18)
InChIKeyCJTCZSOHCRCCOH-UHFFFAOYSA-N
XLogP2.03
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[2-(4-chlorophenyl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404580
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
7,8-difluoro-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 118498697
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
CID 113404547
5-amino-3-[(4-chlorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxylic acid
CID 82487412
3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver
CID 88760860
4-[(4-chlorophenyl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62896733
7-chloro-3-[[4-(difluoromethoxy)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 118499608
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
CID 117209019
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione (CID 113404444) is 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(F)c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is CJTCZSOHCRCCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2/c12-7-3-1-6(2-4-7)5-16-10(17)8(14)9(13)15-11(16)18/h1-4H,5H2,(H,15,18).
What are the key properties of 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione?
6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 289.09 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).