6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C27H21N3O4 — CID 54677451

IUPAC6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(Cc2ccccc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C27H21N3O4/c1-28-24-22(23(31)21(25(28)32)17-18-11-5-2-6-12-18)26(33)30(20-15-9-4-10-16-20)27(34)29(24)19-13-7-3-8-14-19/h2-16,31H,17H2,1H3
InChIKeyLWXANQCDFKZVLY-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.14
Rot. Bonds4

About 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione

6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 54677451) has the molecular formula C27H21N3O4 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID54677451
Molecular FormulaC27H21N3O4
Molecular Weight451.48 g/mol
Exact Mass451.15
IUPAC Name6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(Cc2ccccc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C27H21N3O4/c1-28-24-22(23(31)21(25(28)32)17-18-11-5-2-6-12-18)26(33)30(20-15-9-4-10-16-20)27(34)29(24)19-13-7-3-8-14-19/h2-16,31H,17H2,1H3
InChIKeyLWXANQCDFKZVLY-UHFFFAOYSA-N
XLogP3.14
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 54677451) is 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c(Cc2ccccc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is LWXANQCDFKZVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4/c1-28-24-22(23(31)21(25(28)32)17-18-11-5-2-6-12-18)26(33)30(20-15-9-4-10-16-20)27(34)29(24)19-13-7-3-8-14-19/h2-16,31H,17H2,1H3.
What are the key properties of 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 451.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 54677451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).