6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

C28H17F6N5O6 — CID 124598307

IUPAC6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(O)c1C(c1ccccn1)c1c(O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C28H17F6N5O6/c29-27(30,31)13-5-3-7-15(11-13)38-23(42)19(21(40)36-25(38)44)18(17-9-1-2-10-35-17)20-22(41)37-26(45)39(24(20)43)16-8-4-6-14(12-16)28(32,33)34/h1-12,18,42-43H,(H,36,40,44)(H,37,41,45)
InChIKeyBEGXACHLISIRJI-UHFFFAOYSA-N
MW633.46 g/mol
LogP3.39
Rot. Bonds5

About 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione

6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (PubChem CID 124598307) has the molecular formula C28H17F6N5O6 and a molecular weight of 633.46 g/mol. Its IUPAC name is 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
PubChem CID124598307
Molecular FormulaC28H17F6N5O6
Molecular Weight633.46 g/mol
Exact Mass633.11
IUPAC Name6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(O)c1C(c1ccccn1)c1c(O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C28H17F6N5O6/c29-27(30,31)13-5-3-7-15(11-13)38-23(42)19(21(40)36-25(38)44)18(17-9-1-2-10-35-17)20-22(41)37-26(45)39(24(20)43)16-8-4-6-14(12-16)28(32,33)34/h1-12,18,42-43H,(H,36,40,44)(H,37,41,45)
InChIKeyBEGXACHLISIRJI-UHFFFAOYSA-N
XLogP3.39
TPSA163.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.46
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione (CID 124598307) is 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(O)c1C(c1ccccn1)c1c(O)n(-c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
The InChIKey is BEGXACHLISIRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F6N5O6/c29-27(30,31)13-5-3-7-15(11-13)38-23(42)19(21(40)36-25(38)44)18(17-9-1-2-10-35-17)20-22(41)37-26(45)39(24(20)43)16-8-4-6-14(12-16)28(32,33)34/h1-12,18,42-43H,(H,36,40,44)(H,37,41,45).
What are the key properties of 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione?
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione has a molecular weight of 633.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 124598307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).