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

C27H19FN4O4 — CID 136791214

IUPAC6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(/C=N/c2ccc(F)cc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C27H19FN4O4/c1-30-24-22(23(33)21(25(30)34)16-29-18-14-12-17(28)13-15-18)26(35)32(20-10-6-3-7-11-20)27(36)31(24)19-8-4-2-5-9-19/h2-16,33H,1H3/b29-16+
InChIKeyUIAZYPYXCXWPLQ-MUFRIFMGSA-N
MW482.47 g/mol
LogP3.44
Rot. Bonds4

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

6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 136791214) has the molecular formula C27H19FN4O4 and a molecular weight of 482.47 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID136791214
Molecular FormulaC27H19FN4O4
Molecular Weight482.47 g/mol
Exact Mass482.14
IUPAC Name6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c(/C=N/c2ccc(F)cc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C27H19FN4O4/c1-30-24-22(23(33)21(25(30)34)16-29-18-14-12-17(28)13-15-18)26(35)32(20-10-6-3-7-11-20)27(36)31(24)19-8-4-2-5-9-19/h2-16,33H,1H3/b29-16+
InChIKeyUIAZYPYXCXWPLQ-MUFRIFMGSA-N
XLogP3.44
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.44
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-[(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
6-(Benzyliminomethyl)-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454270
1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 59717046
3-(2-Fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 59717136
3-Cyclopropyl-6-ethyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 71003102
6-Benzyl-1,3-bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 164519513
1,3-Bis(4-fluorophenyl)-5-hydroxy-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 164519529
6-Benzyl-8-butyl-1,3-bis(4-fluorophenyl)-5-hydroxypyrido[2,3-d]pyrimidine-2,4,7-trione
CID 168873570
5-[(4-Fluorophenyl)iminomethyl]-6-hydroxy-1,3-diphenylpyrimidine-2,4-dione
CID 2785931
(5Z)-5-({[4-(diethylamino)phenyl]amino}methylidene)-3-(2-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3695107
(5Z)-5-({[4-(diethylamino)phenyl]amino}methylidene)-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3973274
6-[(4-Fluorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 135454264

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 136791214) is 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c(/C=N/c2ccc(F)cc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is UIAZYPYXCXWPLQ-MUFRIFMGSA-N. The full InChI is InChI=1S/C27H19FN4O4/c1-30-24-22(23(33)21(25(30)34)16-29-18-14-12-17(28)13-15-18)26(35)32(20-10-6-3-7-11-20)27(36)31(24)19-8-4-2-5-9-19/h2-16,33H,1H3/b29-16+.
What are the key properties of 6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-[(4-fluorophenyl)iminomethyl]-5-hydroxy-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 482.47 g/mol, XLogP of 3.44, 4 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-8-methyl-1,3-diphenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 136791214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).