3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione

C12H8F3N3O3 — CID 89185377

IUPAC3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(CF)cc(=O)n(-c2cc(F)c(N=O)cc2F)c1=O
InChIInChI=1S/C12H8F3N3O3/c1-17-6(5-13)2-11(19)18(12(17)20)10-4-7(14)9(16-21)3-8(10)15/h2-4H,5H2,1H3
InChIKeyYMTVBIPJAPEKOD-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.68
Rot. Bonds3

About 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione

3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 89185377) has the molecular formula C12H8F3N3O3 and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
PubChem CID89185377
Molecular FormulaC12H8F3N3O3
Molecular Weight299.21 g/mol
Exact Mass299.05
IUPAC Name3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(CF)cc(=O)n(-c2cc(F)c(N=O)cc2F)c1=O
InChIInChI=1S/C12H8F3N3O3/c1-17-6(5-13)2-11(19)18(12(17)20)10-4-7(14)9(16-21)3-8(10)15/h2-4H,5H2,1H3
InChIKeyYMTVBIPJAPEKOD-UHFFFAOYSA-N
XLogP1.68
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-fluoro-5-[(E)-methoxyiminomethyl]-4-(methylideneamino)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 20661990
3-(5-azido-4-chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18916417
3-(4-bromo-2-fluoro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265627
5-fluoro-2-[(E)-methoxyiminomethyl]-4-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzonitrile
CID 15389859
3-(4-chloro-2-fluoro-5-propylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 174518942
3-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 19975255
3-(4-bromo-5-ethylsulfonyl-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265612
3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265589
3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 174383286
2-chloro-5-[4-(1,1-difluoroethyl)-3-methyl-2,6-dioxopyrimidin-1-yl]-4-fluorobenzaldehyde
CID 177025025
3-(7-fluoro-2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)-1,6-dimethylpyrimidine-2,4-dione
CID 158203671
3-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]sulfanyl-2,2-dimethylpropanoic acid
CID 151095401

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione (CID 89185377) is 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione is Cn1c(CF)cc(=O)n(-c2cc(F)c(N=O)cc2F)c1=O.
What is the InChIKey of 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is YMTVBIPJAPEKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3/c1-17-6(5-13)2-11(19)18(12(17)20)10-4-7(14)9(16-21)3-8(10)15/h2-4H,5H2,1H3.
What are the key properties of 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 299.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-nitrosophenyl)-6-(fluoromethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 89185377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).