6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione

C27H19F2N3O4 — CID 164519513

IUPAC6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(Cc2ccccc2)c(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C27H19F2N3O4/c1-30-24-22(23(33)21(25(30)34)15-16-5-3-2-4-6-16)26(35)32(20-13-9-18(29)10-14-20)27(36)31(24)19-11-7-17(28)8-12-19/h2-14,33H,15H2,1H3
InChIKeyVSTSHHBLAAFKCV-UHFFFAOYSA-N
MW487.46 g/mol
LogP3.41
Rot. Bonds4

About 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione

6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 164519513) has the molecular formula C27H19F2N3O4 and a molecular weight of 487.46 g/mol. Its IUPAC name is 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID164519513
Molecular FormulaC27H19F2N3O4
Molecular Weight487.46 g/mol
Exact Mass487.13
IUPAC Name6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(Cc2ccccc2)c(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C27H19F2N3O4/c1-30-24-22(23(33)21(25(30)34)15-16-5-3-2-4-6-16)26(35)32(20-13-9-18(29)10-14-20)27(36)31(24)19-11-7-17(28)8-12-19/h2-14,33H,15H2,1H3
InChIKeyVSTSHHBLAAFKCV-UHFFFAOYSA-N
XLogP3.41
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-Dimethyl-1,3,6-triphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 2817566
6-(Benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454270
6-Hydroxy-5-[(4-methylphenyl)methyl]-3-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 123480849
[3-Benzyl-5-[(3,4-difluorophenyl)methyl]-2,6-dioxo-1-phenylpyrimidin-4-yl] methyl carbonate
CID 124146705
3-Cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 143152648
(2E)-2-butylidene-3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 154674804
3-(2-Fluoro-4-methylphenyl)-5-hydroxy-1,6-dimethyl-8-prop-1-en-2-ylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 163708920
6-Benzyl-1,3-bis(4-fluorophenyl)-8-methyl-5-(methylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 164519528
1,3-Bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 164519529
1,3-Bis(4-fluorophenyl)-5-hydroxy-8-methyl-6-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 168873555
6-Benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-(3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 168873565
6-Benzyl-5-hydroxy-8-methyl-1,3-bis[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 168873569

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 164519513) is 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c(Cc2ccccc2)c(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c21.
What is the InChIKey of 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is VSTSHHBLAAFKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O4/c1-30-24-22(23(33)21(25(30)34)15-16-5-3-2-4-6-16)26(35)32(20-13-9-18(29)10-14-20)27(36)31(24)19-11-7-17(28)8-12-19/h2-14,33H,15H2,1H3.
What are the key properties of 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 487.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 164519513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).