3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C13H10F4N2O2 — CID 54324934

IUPAC3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)c1
InChIInChI=1S/C13H10F4N2O2/c1-7-3-4-9(8(14)5-7)19-11(20)6-10(13(15,16)17)18(2)12(19)21/h3-6H,1-2H3
InChIKeySUGCHHXYGCXTES-UHFFFAOYSA-N
MW302.23 g/mol
LogP2.00
Rot. Bonds1

About 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 54324934) has the molecular formula C13H10F4N2O2 and a molecular weight of 302.23 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID54324934
Molecular FormulaC13H10F4N2O2
Molecular Weight302.23 g/mol
Exact Mass302.07
IUPAC Name3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)c1
InChIInChI=1S/C13H10F4N2O2/c1-7-3-4-9(8(14)5-7)19-11(20)6-10(13(15,16)17)18(2)12(19)21/h3-6H,1-2H3
InChIKeySUGCHHXYGCXTES-UHFFFAOYSA-N
XLogP2.00
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 54324934) is 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cc1ccc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is SUGCHHXYGCXTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O2/c1-7-3-4-9(8(14)5-7)19-11(20)6-10(13(15,16)17)18(2)12(19)21/h3-6H,1-2H3.
What are the key properties of 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 302.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 54324934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).