6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C23H20N4O4 — CID 135454270

IUPAC6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/Cc3ccccc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C23H20N4O4/c1-25-20-18(22(30)26(2)23(25)31)19(28)17(14-24-13-15-9-5-3-6-10-15)21(29)27(20)16-11-7-4-8-12-16/h3-12,14,28H,13H2,1-2H3/b24-14+
InChIKeyRQIOVHUJKFVDMO-ZVHZXABRSA-N
MW416.44 g/mol
LogP1.71
Rot. Bonds4

About 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 135454270) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID135454270
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/Cc3ccccc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C23H20N4O4/c1-25-20-18(22(30)26(2)23(25)31)19(28)17(14-24-13-15-9-5-3-6-10-15)21(29)27(20)16-11-7-4-8-12-16/h3-12,14,28H,13H2,1-2H3/b24-14+
InChIKeyRQIOVHUJKFVDMO-ZVHZXABRSA-N
XLogP1.71
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 135454270) is 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)c(/C=N/Cc3ccccc3)c(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is RQIOVHUJKFVDMO-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-25-20-18(22(30)26(2)23(25)31)19(28)17(14-24-13-15-9-5-3-6-10-15)21(29)27(20)16-11-7-4-8-12-16/h3-12,14,28H,13H2,1-2H3/b24-14+.
What are the key properties of 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 416.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 135454270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).