5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione

C27H20N4O4 — CID 136756838

IUPAC5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(/C=N/c2ccccc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C27H20N4O4/c1-29-24-22(23(32)21(25(29)33)17-28-18-11-5-2-6-12-18)26(34)31(20-15-9-4-10-16-20)27(35)30(24)19-13-7-3-8-14-19/h2-17,32H,1H3/b28-17+
InChIKeyRKCZHKSRSBYITE-OGLMXYFKSA-N
MW464.48 g/mol
LogP3.30
Rot. Bonds4

About 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione

5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 136756838) has the molecular formula C27H20N4O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID136756838
Molecular FormulaC27H20N4O4
Molecular Weight464.48 g/mol
Exact Mass464.15
IUPAC Name5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(/C=N/c2ccccc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C27H20N4O4/c1-29-24-22(23(32)21(25(29)33)17-28-18-11-5-2-6-12-18)26(34)31(20-15-9-4-10-16-20)27(35)30(24)19-13-7-3-8-14-19/h2-17,32H,1H3/b28-17+
InChIKeyRKCZHKSRSBYITE-OGLMXYFKSA-N
XLogP3.30
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[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

Related Compounds

6-[(4-Fluoroanilino)methylidene]-1,3,8-trimethyl-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-2,4,5,7-tetraone
CID 135454261
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1967839
5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
CID 54687615
6-(Benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454270
1,3-Bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 164519529
6-benzyl-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
CID 54677451
5-[(4-Fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione
CID 2785931
6-[(4-Fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454264
6-[(4-Fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 136791214
3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
CID 175675483
6-[(4-Chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454265
6-[(3,5-Dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454268

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 136756838) is 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c(/C=N/c2ccccc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is RKCZHKSRSBYITE-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H20N4O4/c1-29-24-22(23(32)21(25(29)33)17-28-18-11-5-2-6-12-18)26(34)31(20-15-9-4-10-16-20)27(35)30(24)19-13-7-3-8-14-19/h2-17,32H,1H3/b28-17+.
What are the key properties of 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 464.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methyl-1,3-diphenyl-6-(phenyliminomethyl)pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 136756838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).