3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione

C13H6ClF7N2O2 — CID 155587229

IUPAC3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)c(C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2F)c1=O
InChIInChI=1S/C13H6ClF7N2O2/c1-22-9(13(19,20)21)8(12(16,17)18)10(24)23(11(22)25)7-3-2-5(14)4-6(7)15/h2-4H,1H3
InChIKeyVYTDBHCGIZBZPH-UHFFFAOYSA-N
MW390.64 g/mol
LogP3.37
Rot. Bonds1

About 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione

3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 155587229) has the molecular formula C13H6ClF7N2O2 and a molecular weight of 390.64 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID155587229
Molecular FormulaC13H6ClF7N2O2
Molecular Weight390.64 g/mol
Exact Mass390.00
IUPAC Name3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)c(C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2F)c1=O
InChIInChI=1S/C13H6ClF7N2O2/c1-22-9(13(19,20)21)8(12(16,17)18)10(24)23(11(22)25)7-3-2-5(14)4-6(7)15/h2-4H,1H3
InChIKeyVYTDBHCGIZBZPH-UHFFFAOYSA-N
XLogP3.37
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.64
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromo-2-fluorophenyl)-1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265544
3-(4-chloro-2-fluorophenyl)-5-fluoro-2-methoxy-6-(trifluoromethyl)pyrimidin-4-one
CID 173395463
3-(2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 174383286
3-(4-chloro-2-fluoro-5-sulfanylphenyl)-1,5,6-trimethylpyrimidine-2,4-dione
CID 163706048
3-(4-chloro-2-fluorophenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole
CID 18791016
2-[2-chloro-5-[3,5-dimethyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluorophenyl]sulfanyl-3-methylbutanoic acid
CID 155183721
3-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 21265617
3-(4-chloro-2-fluorophenyl)-1-(difluoromethyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 20657570
10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione
CID 14860363
methyl 2-[2-[2-chloro-5-[3,5-dimethyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-4-fluorophenoxy]phenoxy]acetate
CID 155160577
ethane;3-(2-fluoro-4-isocyano-5-phenoxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 91247738
5-chloro-1,3-difluoro-2-(trifluoromethyl)benzene
CID 23450922

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione (CID 155587229) is 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)c(C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2F)c1=O.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is VYTDBHCGIZBZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF7N2O2/c1-22-9(13(19,20)21)8(12(16,17)18)10(24)23(11(22)25)7-3-2-5(14)4-6(7)15/h2-4H,1H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione?
3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 390.64 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-1-methyl-5,6-bis(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 155587229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).