5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione

C17H10F4N2O3 — CID 19896214

IUPAC5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2ccccc2)c(F)c(=O)n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H10F4N2O3/c18-13-14(10-4-2-1-3-5-10)22-16(25)23(15(13)24)11-6-8-12(9-7-11)26-17(19,20)21/h1-9H,(H,22,25)
InChIKeyBDXPOWIXLCIATQ-UHFFFAOYSA-N
MW366.27 g/mol
LogP3.23
Rot. Bonds3

About 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione

5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione (PubChem CID 19896214) has the molecular formula C17H10F4N2O3 and a molecular weight of 366.27 g/mol. Its IUPAC name is 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione
PubChem CID19896214
Molecular FormulaC17H10F4N2O3
Molecular Weight366.27 g/mol
Exact Mass366.06
IUPAC Name5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2ccccc2)c(F)c(=O)n1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H10F4N2O3/c18-13-14(10-4-2-1-3-5-10)22-16(25)23(15(13)24)11-6-8-12(9-7-11)26-17(19,20)21/h1-9H,(H,22,25)
InChIKeyBDXPOWIXLCIATQ-UHFFFAOYSA-N
XLogP3.23
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione (CID 19896214) is 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(-c2ccccc2)c(F)c(=O)n1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BDXPOWIXLCIATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O3/c18-13-14(10-4-2-1-3-5-10)22-16(25)23(15(13)24)11-6-8-12(9-7-11)26-17(19,20)21/h1-9H,(H,22,25).
What are the key properties of 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione?
5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 366.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 19896214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).