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

C22H17FN4O4 — CID 135454264

IUPAC6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C22H17FN4O4/c1-25-19-17(21(30)26(2)22(25)31)18(28)16(12-24-14-10-8-13(23)9-11-14)20(29)27(19)15-6-4-3-5-7-15/h3-12,28H,1-2H3/b24-12+
InChIKeyUZCACWPZEOTYQH-WYMPLXKRSA-N
MW420.40 g/mol
LogP1.98
Rot. Bonds3

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

6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 135454264) has the molecular formula C22H17FN4O4 and a molecular weight of 420.40 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID135454264
Molecular FormulaC22H17FN4O4
Molecular Weight420.40 g/mol
Exact Mass420.12
IUPAC Name6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C22H17FN4O4/c1-25-19-17(21(30)26(2)22(25)31)18(28)16(12-24-14-10-8-13(23)9-11-14)20(29)27(19)15-6-4-3-5-7-15/h3-12,28H,1-2H3/b24-12+
InChIKeyUZCACWPZEOTYQH-WYMPLXKRSA-N
XLogP1.98
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1,3-dimethyl-5-[(4-phenyldiazenylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137073260
6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4623736
5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 54679227
3-hydroxy-4-[(4-methylphenyl)iminomethyl]-2-phenylisoquinolin-1-one
CID 3561966
6-hydroxy-11,13-dimethyl-5,9-diphenyl-3-oxa-9,11,13-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),5-triene-4,8,12,14-tetrone
CID 54705844
4-hydroxy-1,6-dimethyl-3-(phenyliminomethyl)pyridin-2-one
CID 137227914
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 2288283
1-(4-fluorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 2844560
1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1379781
1,3-dimethyl-6-nitro-8-phenyl-5-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 2777930
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 979339
6-hydroxy-1-methyl-5-(phenyliminomethyl)pyrimidine-2,4-dione
CID 135703589

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 135454264) is 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)c(/C=N/c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is UZCACWPZEOTYQH-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H17FN4O4/c1-25-19-17(21(30)26(2)22(25)31)18(28)16(12-24-14-10-8-13(23)9-11-14)20(29)27(19)15-6-4-3-5-7-15/h3-12,28H,1-2H3/b24-12+.
What are the key properties of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 420.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 135454264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).