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

C30H25F2N3O4 — CID 168873570

IUPAC6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCCCn1c(=O)c(Cc2ccccc2)c(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C30H25F2N3O4/c1-2-3-17-33-27-25(26(36)24(28(33)37)18-19-7-5-4-6-8-19)29(38)35(23-15-11-21(32)12-16-23)30(39)34(27)22-13-9-20(31)10-14-22/h4-16,36H,2-3,17-18H2,1H3
InChIKeyZWYSULSLNCYFHY-UHFFFAOYSA-N
MW529.54 g/mol
LogP4.68
Rot. Bonds7

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

6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 168873570) has the molecular formula C30H25F2N3O4 and a molecular weight of 529.54 g/mol. Its IUPAC name is 6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID168873570
Molecular FormulaC30H25F2N3O4
Molecular Weight529.54 g/mol
Exact Mass529.18
IUPAC Name6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCCCCn1c(=O)c(Cc2ccccc2)c(O)c2c(=O)n(-c3ccc(F)cc3)c(=O)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C30H25F2N3O4/c1-2-3-17-33-27-25(26(36)24(28(33)37)18-19-7-5-4-6-8-19)29(38)35(23-15-11-21(32)12-16-23)30(39)34(27)22-13-9-20(31)10-14-22/h4-16,36H,2-3,17-18H2,1H3
InChIKeyZWYSULSLNCYFHY-UHFFFAOYSA-N
XLogP4.68
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione (CID 168873570) is 6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione is CCCCn1c(=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-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is ZWYSULSLNCYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N3O4/c1-2-3-17-33-27-25(26(36)24(28(33)37)18-19-7-5-4-6-8-19)29(38)35(23-15-11-21(32)12-16-23)30(39)34(27)22-13-9-20(31)10-14-22/h4-16,36H,2-3,17-18H2,1H3.
What are the key properties of 6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione?
6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 529.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 168873570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).