6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

C20H12F3N3O3 — CID 1402835

IUPAC6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)12-4-3-5-13(9-12)26-18(28)15(17(27)25-19(26)29)8-11-10-24-16-7-2-1-6-14(11)16/h1-10,28H,(H,25,27,29)
InChIKeyYMOIFZWGJZGVKI-UHFFFAOYSA-N
MW399.33 g/mol
LogP3.51
Rot. Bonds2

About 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (PubChem CID 1402835) has the molecular formula C20H12F3N3O3 and a molecular weight of 399.33 g/mol. Its IUPAC name is 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
PubChem CID1402835
Molecular FormulaC20H12F3N3O3
Molecular Weight399.33 g/mol
Exact Mass399.08
IUPAC Name6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C20H12F3N3O3/c21-20(22,23)12-4-3-5-13(9-12)26-18(28)15(17(27)25-19(26)29)8-11-10-24-16-7-2-1-6-14(11)16/h1-10,28H,(H,25,27,29)
InChIKeyYMOIFZWGJZGVKI-UHFFFAOYSA-N
XLogP3.51
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (CID 1402835) is 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(O)c1C=C1C=Nc2ccccc21.
What is the InChIKey of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The InChIKey is YMOIFZWGJZGVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3/c21-20(22,23)12-4-3-5-13(9-12)26-18(28)15(17(27)25-19(26)29)8-11-10-24-16-7-2-1-6-14(11)16/h1-10,28H,(H,25,27,29).
What are the key properties of 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione has a molecular weight of 399.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1402835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).