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

C22H16Cl2N4O4 — CID 135454268

IUPAC6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/c3cc(Cl)cc(Cl)c3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C22H16Cl2N4O4/c1-26-19-17(21(31)27(2)22(26)32)18(29)16(11-25-14-9-12(23)8-13(24)10-14)20(30)28(19)15-6-4-3-5-7-15/h3-11,29H,1-2H3/b25-11+
InChIKeyMIIAXGZUIGZBGM-OPEKNORGSA-N
MW471.30 g/mol
LogP3.15
Rot. Bonds3

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

6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 135454268) has the molecular formula C22H16Cl2N4O4 and a molecular weight of 471.30 g/mol. Its IUPAC name is 6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID135454268
Molecular FormulaC22H16Cl2N4O4
Molecular Weight471.30 g/mol
Exact Mass470.05
IUPAC Name6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/c3cc(Cl)cc(Cl)c3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C22H16Cl2N4O4/c1-26-19-17(21(31)27(2)22(26)32)18(29)16(11-25-14-9-12(23)8-13(24)10-14)20(30)28(19)15-6-4-3-5-7-15/h3-11,29H,1-2H3/b25-11+
InChIKeyMIIAXGZUIGZBGM-OPEKNORGSA-N
XLogP3.15
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.30
LogP ≤ 53.15
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-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 135454268) is 6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)c(/C=N/c3cc(Cl)cc(Cl)c3)c(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is MIIAXGZUIGZBGM-OPEKNORGSA-N. The full InChI is InChI=1S/C22H16Cl2N4O4/c1-26-19-17(21(31)27(2)22(26)32)18(29)16(11-25-14-9-12(23)8-13(24)10-14)20(30)28(19)15-6-4-3-5-7-15/h3-11,29H,1-2H3/b25-11+.
What are the key properties of 6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 471.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dichlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 135454268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).